 Entering Gaussian System, Link 0=g16
 Input=01_S_methyloxirane_STD_B3LYPDBJ-augccpVDZr.in
 Output=01_S_methyloxirane_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/01_S_methyloxirane_STD/Gau-85312.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/01_S_methyloxirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     85313.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                10-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=01_S_methyloxirane_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 10 01:29:30 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "01_S_methyloxirane_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.037946000000      0.616050000000     -0.060586000000
  C                                                 0.152167000000     -0.036181000000      0.486338000000
  O                                                -0.827309000000     -0.787855000000     -0.240257000000
  H                                                -0.946334000000      1.214879000000     -0.962405000000
  H                                                -1.863621000000      0.880906000000      0.593045000000
  H                                                 0.153731000000     -0.252078000000      1.553032000000
  C                                                 1.505323000000      0.097870000000     -0.148585000000
  H                                                 1.410483000000      0.321151000000     -1.211784000000
  H                                                 2.073470000000     -0.828389000000     -0.041354000000
  H                                                 2.073478000000      0.899940000000      0.328527000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     10 NQM=       10 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          16           1           1           1          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           0           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 10 01:29:30 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.463181   0.000000
     3  O    1.430943   1.432595   0.000000
     4  H    1.086401   2.206969   2.132278   0.000000
     5  H    1.085874   2.217169   2.133799   1.836404   0.000000
     6  H    2.185750   1.088324   2.113145   3.112801   2.504982
     7  C    2.597012   1.500709   2.496815   2.814362   3.537364
     8  H    2.721585   2.143517   2.679827   2.532889   3.780276
     9  H    3.430406   2.144168   2.907873   3.760651   4.338760
    10  H    3.148486   2.143050   3.403929   3.299236   3.946021
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.201083   0.000000
     8  H    3.090667   1.090523   0.000000
     9  H    2.561171   1.091900   1.769435   0.000000
    10  H    2.551859   1.092590   1.774012   1.767465   0.000000
 Stoichiometry    C3H6O
 Framework group  C1[X(C3H6O)]
 Deg. of freedom    24
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.36D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
 Rotational constants (GHZ):          18.2186332           6.6800760           5.9518073
 Leave Link  202 at Sat Jul 10 01:29:30 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       4      5      6      8      9     10
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  12 primitive shells out of 160 were deleted.
 There are   154 symmetry adapted cartesian basis functions of A   symmetry.
 There are   146 symmetry adapted basis functions of A   symmetry.
   146 basis functions,   260 primitive gaussians,   154 cartesian basis functions
    16 alpha electrons       16 beta electrons
       nuclear repulsion energy       124.8385457136 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   10 NActive=   10 NUniq=   10 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0093169038 Hartrees.
 Nuclear repulsion after empirical dispersion term =      124.8292288098 Hartrees.
 Leave Link  301 at Sat Jul 10 01:29:32 2021, MaxMem=  6442450944 cpu:              10.4 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   146 RedAO= T EigKep=  3.61D-05  NBF=   146
 NBsUse=   146 1.00D-06 EigRej= -1.00D+00 NBFU=   146
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   154   154   154   154   154 MxSgAt=    10 MxSgA2=    10.
 Leave Link  302 at Sat Jul 10 01:29:32 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 10 01:29:32 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "01_S_methyloxirane_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 10 01:29:32 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=65419144.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  10731 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6384818116 LenY=  6384793959
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -193.140375722288    
 DIIS: error= 2.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -193.140375722288     IErMin= 1 ErrMin= 2.30D-03
 ErrMax= 2.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-03 BMatP= 2.49D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.317 Goal=   None    Shift=    0.000
 GapD=    0.317 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.46D-02 MaxDP=3.16D-01              OVMax= 1.88D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -193.142953181478     Delta-E=       -0.002577459190 Rises=F Damp=F
 DIIS: error= 5.11D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -193.142953181478     IErMin= 2 ErrMin= 5.11D-04
 ErrMax= 5.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.58D-05 BMatP= 2.49D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.11D-03
 Coeff-Com:  0.359D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.357D-01 0.964D+00
 Gap=     0.272 Goal=   None    Shift=    0.000
 RMSDP=5.44D-04 MaxDP=1.61D-02 DE=-2.58D-03 OVMax= 4.78D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -193.142818875392     Delta-E=        0.000134306086 Rises=F Damp=F
 DIIS: error= 9.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -193.142953181478     IErMin= 2 ErrMin= 5.11D-04
 ErrMax= 9.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-04 BMatP= 9.58D-05
 IDIUse=3 WtCom= 2.48D-01 WtEn= 7.52D-01
 Coeff-Com: -0.104D-01 0.639D+00 0.371D+00
 Coeff-En:   0.000D+00 0.698D+00 0.302D+00
 Coeff:     -0.257D-02 0.683D+00 0.319D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.40D-04 MaxDP=5.73D-03 DE= 1.34D-04 OVMax= 2.76D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -193.143029646094     Delta-E=       -0.000210770702 Rises=F Damp=F
 DIIS: error= 8.47D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -193.143029646094     IErMin= 4 ErrMin= 8.47D-05
 ErrMax= 8.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-06 BMatP= 9.58D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.645D-02 0.238D+00 0.646D-01 0.704D+00
 Coeff:     -0.645D-02 0.238D+00 0.646D-01 0.704D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.76D-05 MaxDP=9.95D-04 DE=-2.11D-04 OVMax= 4.10D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -193.143032920560     Delta-E=       -0.000003274466 Rises=F Damp=F
 DIIS: error= 1.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -193.143032920560     IErMin= 5 ErrMin= 1.97D-05
 ErrMax= 1.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-07 BMatP= 3.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.963D-03 0.941D-02-0.222D-01 0.298D+00 0.716D+00
 Coeff:     -0.963D-03 0.941D-02-0.222D-01 0.298D+00 0.716D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=8.16D-06 MaxDP=1.60D-04 DE=-3.27D-06 OVMax= 1.15D-04

 Cycle   6  Pass 1  IDiag  1:
 E= -193.143033089237     Delta-E=       -0.000000168678 Rises=F Damp=F
 DIIS: error= 3.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -193.143033089237     IErMin= 6 ErrMin= 3.48D-06
 ErrMax= 3.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-09 BMatP= 1.62D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.958D-04-0.362D-02-0.660D-02 0.574D-01 0.188D+00 0.765D+00
 Coeff:     -0.958D-04-0.362D-02-0.660D-02 0.574D-01 0.188D+00 0.765D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=2.33D-05 DE=-1.69D-07 OVMax= 1.34D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -193.143033091350     Delta-E=       -0.000000002113 Rises=F Damp=F
 DIIS: error= 8.49D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -193.143033091350     IErMin= 7 ErrMin= 8.49D-07
 ErrMax= 8.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-10 BMatP= 2.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-04-0.152D-02-0.822D-03 0.520D-02 0.318D-01 0.258D+00
 Coeff-Com:  0.708D+00
 Coeff:      0.111D-04-0.152D-02-0.822D-03 0.520D-02 0.318D-01 0.258D+00
 Coeff:      0.708D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=3.17D-07 MaxDP=8.41D-06 DE=-2.11D-09 OVMax= 4.26D-06

 Cycle   8  Pass 1  IDiag  1:
 E= -193.143033091546     Delta-E=       -0.000000000195 Rises=F Damp=F
 DIIS: error= 2.90D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -193.143033091546     IErMin= 8 ErrMin= 2.90D-07
 ErrMax= 2.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-11 BMatP= 2.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-04-0.509D-03 0.165D-03-0.238D-02 0.729D-03 0.666D-01
 Coeff-Com:  0.345D+00 0.591D+00
 Coeff:      0.147D-04-0.509D-03 0.165D-03-0.238D-02 0.729D-03 0.666D-01
 Coeff:      0.345D+00 0.591D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=8.52D-08 MaxDP=2.70D-06 DE=-1.95D-10 OVMax= 1.80D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -193.143033091571     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 4.75D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -193.143033091571     IErMin= 9 ErrMin= 4.75D-08
 ErrMax= 4.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.47D-13 BMatP= 3.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.399D-05-0.832D-04 0.875D-04-0.102D-02-0.131D-02 0.694D-02
 Coeff-Com:  0.689D-01 0.188D+00 0.738D+00
 Coeff:      0.399D-05-0.832D-04 0.875D-04-0.102D-02-0.131D-02 0.694D-02
 Coeff:      0.689D-01 0.188D+00 0.738D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.79D-08 MaxDP=4.70D-07 DE=-2.52D-11 OVMax= 3.90D-07

 Cycle  10  Pass 1  IDiag  1:
 E= -193.143033091577     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 1.87D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -193.143033091577     IErMin=10 ErrMin= 1.87D-08
 ErrMax= 1.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-13 BMatP= 7.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.654D-06 0.714D-06 0.264D-04-0.291D-03-0.653D-03-0.182D-02
 Coeff-Com:  0.647D-02 0.457D-01 0.356D+00 0.595D+00
 Coeff:      0.654D-06 0.714D-06 0.264D-04-0.291D-03-0.653D-03-0.182D-02
 Coeff:      0.647D-02 0.457D-01 0.356D+00 0.595D+00
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=6.33D-09 MaxDP=1.73D-07 DE=-5.97D-12 OVMax= 1.30D-07

 SCF Done:  E(RB3LYP) =  -193.143033092     A.U. after   10 cycles
            NFock= 10  Conv=0.63D-08     -V/T= 2.0063
 KE= 1.919305912291D+02 PE=-6.999040253744D+02 EE= 1.900011722439D+02
 Leave Link  502 at Sat Jul 10 01:29:39 2021, MaxMem=  6442450944 cpu:              44.9 elap:               6.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   146
 NBasis=   146 NAE=    16 NBE=    16 NFC=     0 NFV=     0
 NROrb=    146 NOA=    16 NOB=    16 NVA=   130 NVB=   130

 **** Warning!!: The largest alpha MO coefficient is  0.47486015D+02

 Leave Link  801 at Sat Jul 10 01:29:39 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3093 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=125020661.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=  10731 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.47D-14 8.33D-09 XBig12= 1.00D+00 2.51D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.47D-14 8.33D-09 XBig12= 3.51D-01 9.69D-02.
     11 vectors produced by pass  2 Test12= 3.47D-14 8.33D-09 XBig12= 3.87D-02 3.64D-02.
     11 vectors produced by pass  3 Test12= 3.47D-14 8.33D-09 XBig12= 8.12D-04 5.67D-03.
     11 vectors produced by pass  4 Test12= 3.47D-14 8.33D-09 XBig12= 7.67D-06 4.66D-04.
     11 vectors produced by pass  5 Test12= 3.47D-14 8.33D-09 XBig12= 4.91D-08 4.08D-05.
     11 vectors produced by pass  6 Test12= 3.47D-14 8.33D-09 XBig12= 1.86D-10 2.63D-06.
      6 vectors produced by pass  7 Test12= 3.47D-14 8.33D-09 XBig12= 4.56D-13 1.03D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension    83 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.484442D+02
      2 -0.250569D+01  0.395707D+02
      3  0.769489D+00 -0.578618D+00  0.394619D+02
 Isotropic polarizability for W=    0.085645       42.49 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.248236D+02 -0.991595D-01  0.253198D+01
      2  -0.147961D+02  0.503781D+01 -0.773087D+01
      3  -0.100275D+02 -0.493865D+01  0.519889D+01
      4   0.184429D+02  0.696208D+01 -0.137044D+01
      5   0.476697D+01  0.186979D+00  0.136204D+02
      6  -0.186948D+01 -0.485475D+01  0.144728D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.826081D+00  0.854343D+00 -0.637313D+01
      2  -0.449393D+01  0.760649D+00  0.723179D+01
      3   0.370368D+01 -0.648098D+01 -0.152511D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.155742D+01  0.287612D+01 -0.194115D+02
      2  -0.223499D+01  0.499035D+00  0.236479D+02
      3   0.185421D+02 -0.217582D+02 -0.205646D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.712693D-02  0.990038D+00  0.558685D+00
      2   0.990038D+00 -0.224754D+00  0.485126D-01
      3   0.558685D+00  0.485126D-01  0.279251D+00
 OR G Eigenvalues:    -1.1876     0.1113     1.1380  Iso=    -0.0205
 Eigenvectors:
   (1)  -0.683227   0.690544   0.237381
   (2)  -0.209981  -0.497157   0.841869
   (3)   0.699363   0.525342   0.484672
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0205 au.
 Molar Mass =     58.0798 grams/mole, [Alpha] ( 5320.0 A) =      -16.77 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   10731 ScalPx= 2.44D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   10731 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.41D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.78D-15 2.78D-09 XBig12= 1.00D+00 4.59D-01.
     30 vectors produced by pass  1 Test12= 5.78D-15 2.78D-09 XBig12= 8.88D-03 1.82D-02.
     30 vectors produced by pass  2 Test12= 5.78D-15 2.78D-09 XBig12= 1.65D-04 1.76D-03.
     30 vectors produced by pass  3 Test12= 5.78D-15 2.78D-09 XBig12= 8.40D-07 1.11D-04.
     30 vectors produced by pass  4 Test12= 5.78D-15 2.78D-09 XBig12= 1.15D-09 4.08D-06.
     30 vectors produced by pass  5 Test12= 5.78D-15 2.78D-09 XBig12= 9.16D-13 1.11D-07.
      1 vectors produced by pass  6 Test12= 5.78D-15 2.78D-09 XBig12= 6.60D-16 3.77D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   181 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   10731 ScalPx= 7.65D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   10731 ScalPx= 7.65D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   10731 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.54D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.484442D+02 -0.250569D+01  0.769489D+00
      2  -0.250569D+01  0.395707D+02 -0.578618D+00
      3   0.769489D+00 -0.578618D+00  0.394619D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.826081D+00  0.854343D+00 -0.637313D+01
      2  -0.449393D+01  0.760649D+00  0.723179D+01
      3   0.370368D+01 -0.648098D+01 -0.152511D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.248236D+02 -0.991595D-01  0.253198D+01
      2  -0.147961D+02  0.503781D+01 -0.773087D+01
      3  -0.100275D+02 -0.493865D+01  0.519889D+01
      4   0.184429D+02  0.696208D+01 -0.137044D+01
      5   0.476697D+01  0.186979D+00  0.136204D+02
      6  -0.186948D+01 -0.485475D+01  0.144728D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.401543D+01  0.118240D+01 -0.446086D+01 -0.366526D-01 -0.833125D+00
      2   0.118240D+01 -0.410442D+00  0.211415D+01 -0.833125D+00  0.507616D+01
      3  -0.446086D+01  0.211415D+01 -0.104583D+00  0.110003D+01  0.245290D+01
                 6             7             8             9            10 
      1   0.110003D+01 -0.679782D+01  0.231379D+01  0.548701D+00  0.659343D+01
      2   0.245290D+01  0.231379D+01  0.236259D+01 -0.285600D+01 -0.138764D+01
      3  -0.240073D+01  0.548701D+00 -0.285600D+01  0.152612D+01  0.348162D+01
                11            12            13            14            15 
      1  -0.138764D+01  0.348162D+01 -0.182856D+01  0.472783D+01  0.414387D+00
      2   0.254768D+01  0.155295D+00  0.472783D+01 -0.259021D+00  0.134057D+01
      3   0.155295D+00 -0.396170D+00  0.414387D+00  0.134057D+01  0.126204D+01
                16            17            18            19            20 
      1   0.472495D+01  0.748121D+00  0.759065D+00 -0.369636D+01 -0.365553D+01
      2   0.748121D+00  0.119225D+01  0.173175D+01 -0.365553D+01 -0.943611D+00
      3   0.759065D+00  0.173175D+01 -0.828511D+01 -0.122702D+01 -0.281683D+00
                21            22            23            24            25 
      1  -0.122702D+01 -0.171376D+01 -0.303552D+01 -0.767191D+00 -0.171069D+01
      2  -0.281683D+00 -0.303552D+01 -0.900119D+01 -0.188660D+01 -0.133088D+01
      3   0.551538D+00 -0.767191D+00 -0.188660D+01 -0.403187D+00 -0.136348D+01
                26            27            28            29            30 
      1  -0.133088D+01 -0.136348D+01 -0.272361D+00  0.962509D+00 -0.314057D+00
      2  -0.149260D+01 -0.221516D+01  0.962509D+00 -0.798854D-02 -0.506009D+00
      3  -0.221516D+01 -0.117732D+01 -0.314057D+00 -0.506009D+00  0.242060D+00
                31            32            33            34            35 
      1   0.124574D+01 -0.759316D+00  0.361794D+00 -0.958941D+00  0.306341D+00
      2  -0.759316D+00  0.342301D+01 -0.293158D+01  0.306341D+00 -0.333650D+01
      3   0.361794D+00 -0.293158D+01  0.273604D+01 -0.787136D+00  0.334792D+01
                36            37            38            39            40 
      1  -0.787136D+00 -0.681371D+01  0.239282D+01  0.289751D+01  0.200884D+01
      2   0.334792D+01  0.239282D+01 -0.189156D+01 -0.103528D+01 -0.193488D+01
      3  -0.514061D+01  0.289751D+01 -0.103528D+01 -0.226813D+01 -0.727643D+00
                41            42            43            44            45 
      1  -0.193488D+01 -0.727643D+00  0.434604D+01 -0.147240D+01 -0.267784D+01
      2   0.133710D+01  0.597819D+00 -0.147240D+01  0.826126D+00  0.163961D+01
      3   0.597819D+00  0.921505D+00 -0.267784D+01  0.163961D+01  0.274271D+01
                46            47            48            49            50 
      1   0.814777D+00 -0.766793D-01  0.118156D+01 -0.206348D+00 -0.382048D+00
      2  -0.766793D-01 -0.127317D+00 -0.959066D-01 -0.382048D+00 -0.721400D+00
      3   0.118156D+01 -0.959066D-01  0.234981D+00 -0.404256D-01  0.119158D+01
                51            52            53            54            55 
      1  -0.404256D-01  0.160647D+01 -0.220454D+00  0.449775D+00 -0.192126D+01
      2   0.119158D+01 -0.220454D+00  0.124906D+01 -0.145146D+01  0.892333D+00
      3  -0.157556D+01  0.449775D+00 -0.145146D+01  0.108954D+02 -0.261962D+01
                56            57            58            59            60 
      1   0.892333D+00 -0.261962D+01  0.121293D+01 -0.617686D+01 -0.139473D+01
      2  -0.501614D+01 -0.125128D+01 -0.617686D+01  0.152003D+01 -0.167364D+01
      3  -0.125128D+01  0.751843D+00 -0.139473D+01 -0.167364D+01 -0.260032D+01
                61            62            63            64            65 
      1  -0.283231D+01 -0.135548D+01 -0.477526D+00 -0.342432D-01  0.129072D+00
      2  -0.135548D+01 -0.201751D+01 -0.227963D+01  0.129072D+00  0.387447D+00
      3  -0.477526D+00 -0.227963D+01  0.636126D+01 -0.570498D+00  0.134502D+00
                66            67            68            69            70 
      1  -0.570498D+00  0.376825D+00  0.850560D+00 -0.105468D+00 -0.199500D+01
      2   0.134502D+00  0.850560D+00  0.481116D+00 -0.941323D+00 -0.791456D-01
      3  -0.541779D+00 -0.105468D+00 -0.941323D+00  0.127361D+01  0.114231D+01
                71            72            73            74            75 
      1  -0.791456D-01  0.114231D+01  0.470887D+01 -0.261282D+01  0.338142D+00
      2  -0.131012D+01  0.121803D+01 -0.261282D+01  0.302851D+01 -0.104600D-01
      3   0.121803D+01 -0.803052D+01  0.338142D+00 -0.104600D-01  0.605398D+00
                76            77            78            79            80 
      1  -0.472292D+01  0.413973D+01  0.158373D+00  0.941103D+00 -0.553726D-01
      2   0.413973D+01 -0.584242D+01  0.362553D+00 -0.553726D-01  0.667133D+00
      3   0.158373D+00  0.362553D+00 -0.970613D+00  0.944858D+00 -0.666008D+00
                81            82            83            84            85 
      1   0.944858D+00  0.463630D+01  0.217354D+01  0.129323D+01  0.366390D+01
      2  -0.666008D+00  0.217354D+01  0.243342D+01  0.776667D+00  0.340363D+01
      3  -0.309212D+00  0.129323D+01  0.776667D+00  0.924840D+00  0.100087D+01
                86            87            88            89            90 
      1   0.340363D+01  0.100087D+01  0.267620D+01  0.114548D+01  0.146127D+01
      2   0.398661D+01  0.148771D+01  0.114548D+01  0.185958D+01  0.153096D+01
      3   0.148771D+01  0.175720D+01  0.146127D+01  0.153096D+01  0.141731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.672583D+01 -0.260274D+01 -0.255089D+00 -0.258448D+01 -0.143343D+01
      2   0.717658D+01 -0.416220D+01  0.190075D+01 -0.228680D+01 -0.209984D+01
      3   0.734808D+00 -0.416527D+01 -0.120946D+01  0.684489D+00  0.297080D+01
                 6             7             8             9            10 
      1   0.222552D+01 -0.339461D+01  0.585122D+01 -0.175150D+01 -0.240334D+01
      2   0.431090D+01 -0.204218D+01  0.476381D+01  0.182724D+00 -0.256349D+01
      3   0.445549D+01 -0.376706D+01  0.495514D+01 -0.279785D+01  0.101910D+01
                11            12            13            14            15 
      1   0.233832D+01 -0.292210D+00  0.261304D+01 -0.859832D+00 -0.234062D+01
      2   0.136970D+01 -0.178967D+01  0.209181D+01 -0.192826D+01 -0.548927D+00
      3  -0.203598D+01  0.109775D+00  0.572110D+01  0.929847D+00 -0.198580D+00
                16            17            18            19            20 
      1   0.883967D+00  0.493665D+00  0.173437D+01 -0.193672D+01 -0.722892D+00
      2  -0.862655D+01  0.611758D+00 -0.457737D+01  0.182197D+01  0.128264D+01
      3   0.127467D+01 -0.967780D+00 -0.492576D+00  0.172175D+01 -0.303692D+01
                21            22            23            24            25 
      1  -0.272253D+01 -0.126606D+01  0.273375D+01 -0.825615D+01 -0.132430D+01
      2   0.448858D+01 -0.167465D+01  0.248198D+01  0.255534D+01 -0.304997D+01
      3   0.196310D+00  0.863069D+01 -0.959351D+01 -0.161262D+01  0.284198D+01
                26            27            28            29            30 
      1   0.309940D+01 -0.222897D+01  0.231507D+00  0.621149D+00 -0.234494D+00
      2   0.178828D+01  0.206434D+01  0.108567D+01  0.350637D+00  0.264134D+00
      3  -0.980360D+00 -0.337020D+00  0.127412D+01  0.204707D+00 -0.523269D+00
                31            32            33            34            35 
      1  -0.308681D+00  0.886759D+00 -0.365177D+01  0.408684D+00 -0.480023D+00
      2   0.890935D+00  0.349039D+01 -0.347290D+01 -0.202364D+01 -0.392572D+01
      3   0.202221D+01  0.411317D+01 -0.317857D+01 -0.180953D+01 -0.393567D+01
                36            37            38            39            40 
      1   0.607978D+01 -0.323889D+01 -0.296013D+00  0.300552D+01  0.557863D+00
      2   0.621965D+01 -0.232970D+01  0.135310D+01  0.501623D+01  0.577250D+00
      3   0.418281D+01 -0.323897D+01 -0.283922D+01  0.112191D+01  0.354839D+00
                41            42            43            44            45 
      1  -0.426723D+00 -0.175002D+01  0.288109D+01 -0.411825D+00 -0.340785D+01
      2  -0.986948D+00 -0.209926D+01  0.126417D+01 -0.189269D+01 -0.445055D+01
      3   0.916394D+00  0.343037D+00  0.251399D+01  0.745071D+00 -0.459254D+00
                46            47            48            49            50 
      1   0.243579D-01  0.215958D+00  0.632523D+00 -0.445264D+00 -0.962436D+00
      2  -0.904757D-01 -0.104805D+00  0.320665D+00  0.689612D+00  0.906630D+00
      3  -0.268487D-01 -0.982218D+00  0.914097D-01  0.902838D+00 -0.154894D+00
                51            52            53            54            55 
      1   0.364431D+00 -0.378782D-01  0.445719D+01 -0.119479D+01  0.667806D+00
      2  -0.275561D+00 -0.453736D+01 -0.126977D+00  0.292919D+01 -0.523416D+01
      3  -0.281725D+00 -0.689027D+00 -0.372067D+00 -0.334289D+00 -0.887232D+00
                56            57            58            59            60 
      1   0.120021D+01  0.129552D+00  0.224490D+01 -0.173689D+00 -0.557222D+00
      2  -0.182506D+01  0.282511D+01 -0.222571D+01 -0.407582D+01 -0.434954D+01
      3   0.752041D+01  0.224975D+01  0.149696D+02 -0.352063D+01  0.266853D+01
                61            62            63            64            65 
      1  -0.138280D+00  0.263050D+01  0.499147D+00  0.275034D-01  0.212891D+00
      2  -0.454283D+01 -0.400889D+01  0.927637D+01 -0.188125D+01  0.129370D+00
      3   0.158283D+01  0.328446D+01  0.422567D+01 -0.370896D+00 -0.102752D+01
                66            67            68            69            70 
      1  -0.729501D-01  0.106525D+00 -0.375126D+00 -0.901640D+00 -0.236092D+00
      2   0.638494D+00  0.451565D+00 -0.119273D+01  0.257674D+01 -0.176845D+01
      3  -0.346228D+00 -0.981176D-01 -0.613274D+00  0.147409D+01 -0.583544D+00
                71            72            73            74            75 
      1   0.288128D+01  0.893418D+00  0.548271D+00 -0.744259D+00  0.838642D+00
      2   0.251084D+01 -0.140093D+02  0.470131D+00 -0.349056D+00  0.269385D+01
      3   0.242998D+01 -0.235898D+01  0.435738D+01 -0.733943D+01 -0.964907D-02
                76            77            78            79            80 
      1  -0.774233D+00  0.109197D+01 -0.234090D+01  0.319479D+00  0.712245D+00
      2   0.119589D+00  0.914151D+00 -0.302036D+01  0.493096D+00 -0.924564D+00
      3  -0.511026D+01  0.112581D+02 -0.652444D+00 -0.275624D+00 -0.125418D+01
                81            82            83            84            85 
      1   0.961305D-01 -0.646318D+00 -0.222627D+00 -0.102896D+01 -0.528769D+00
      2  -0.616583D+00  0.192989D+01  0.166659D+01  0.337240D+01  0.136640D+01
      3   0.746501D+00 -0.332974D+01 -0.608422D+01 -0.139164D+01 -0.385431D+01
                86            87            88            89            90 
      1  -0.192166D+00 -0.252219D+01 -0.615526D+00  0.552010D+00 -0.100864D+01
      2   0.249045D+01  0.432356D+01  0.610616D+00  0.245825D+01  0.259776D+01
      3  -0.756010D+01 -0.263342D+01 -0.108868D+01 -0.390460D+01 -0.237502D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287341D+00  0.207899D+00  0.102335D+02  0.811802D+01  0.779733D+00
      2   0.108405D+01 -0.713660D-01 -0.547709D+01 -0.747140D+01  0.452338D+01
      3  -0.137139D+01 -0.136533D+00 -0.475645D+01 -0.646617D+00 -0.530311D+01
      4   0.244624D+01 -0.111524D+01 -0.972357D+01 -0.240659D+01 -0.589638D+01
      5   0.175331D+02 -0.763972D+01 -0.258718D+01 -0.445518D+01 -0.194370D+01
      6  -0.790276D+01  0.352187D+01  0.379057D+01  0.421161D+01  0.885396D+01
                 6             7             8             9            10 
      1  -0.105889D+02  0.134685D+02 -0.992597D+01  0.239237D+01 -0.116255D+02
      2   0.676715D+01 -0.692647D+01  0.749797D+01 -0.269183D+01  0.333489D+01
      3   0.382178D+01 -0.654198D+01  0.242799D+01  0.299462D+00  0.829066D+01
      4   0.389170D+00 -0.810162D+01 -0.184597D+01  0.624119D+01  0.434948D+00
      5   0.115251D+02 -0.305236D+01  0.650861D+01  0.114881D+01  0.824331D+00
      6  -0.124518D+02  0.304037D+01 -0.826766D+01  0.509813D+01  0.124074D+01
                11            12            13            14            15 
      1  -0.182762D+01  0.503920D+01 -0.231053D+00 -0.130585D+01  0.114239D+01
      2   0.967424D+00  0.115684D+00 -0.103702D+01  0.189293D+01 -0.179728D+01
      3   0.860192D+00 -0.515488D+01  0.126807D+01 -0.587075D+00  0.654891D+00
      4  -0.676948D+01  0.222130D+01  0.684347D+00 -0.310874D+01 -0.126429D+01
      5   0.131574D+01 -0.875637D+01  0.219600D+01 -0.891716D+00 -0.480915D+00
      6   0.817559D-01  0.967811D+00  0.127744D+01 -0.461084D+00  0.347221D+01
                16            17            18            19            20 
      1   0.864414D+00 -0.254241D+01  0.143278D+02  0.674059D+01  0.629997D+01
      2  -0.102717D+01  0.427242D+00  0.677468D+01 -0.664008D-01 -0.255261D+01
      3   0.162758D+00  0.211517D+01 -0.211025D+02 -0.667418D+01 -0.374736D+01
      4   0.176466D+01 -0.138612D+01  0.204132D+01  0.108246D+02  0.145251D+02
      5   0.155572D+01  0.997274D+00 -0.593173D+01  0.207784D+01  0.309138D+01
      6   0.724639D+00 -0.234663D-01  0.510140D+01  0.335765D+01  0.135696D+01
                21            22            23            24            25 
      1  -0.257753D+01  0.619852D+00 -0.108708D+02 -0.217338D+01  0.944886D+00
      2  -0.249002D+01  0.348324D+01  0.187918D+02 -0.194191D+01 -0.512245D+00
      3   0.506755D+01 -0.410309D+01 -0.792093D+01  0.411528D+01 -0.432641D+00
      4   0.330417D+01  0.140977D+02  0.189194D+02  0.121119D+01  0.240031D+01
      5   0.903227D+01  0.376003D+01  0.790045D+00  0.682621D+00  0.473957D+01
      6   0.375188D+00 -0.174081D+01  0.303338D+01  0.122887D+02  0.267299D+01
                26            27            28            29            30 
      1  -0.188118D+01 -0.734370D+01  0.116098D+01 -0.292726D+01  0.125197D+01
      2  -0.204341D+00 -0.389231D-01 -0.434769D+00  0.165315D+01 -0.226905D+00
      3   0.208552D+01  0.738263D+01 -0.726212D+00  0.127410D+01 -0.102506D+01
      4   0.432252D+01  0.530349D+01 -0.229340D+01  0.366055D+01 -0.124721D+01
      5   0.492365D+01  0.519234D+01 -0.609444D+00 -0.837640D+00  0.379739D+01
      6   0.944065D+01  0.619459D+01 -0.185716D+01 -0.119332D+01  0.115211D+00
                31            32            33            34            35 
      1  -0.191867D+01 -0.864699D+01  0.692095D+01  0.478575D+00  0.849730D+01
      2   0.867790D+00  0.102955D+02 -0.581635D+01 -0.652636D+00 -0.602920D+01
      3   0.105088D+01 -0.164851D+01 -0.110459D+01  0.174061D+00 -0.246809D+01
      4   0.506733D+01 -0.612472D+01  0.490280D+01 -0.316015D+01  0.576361D+01
      5  -0.252065D+01  0.591862D+01 -0.638000D+01  0.516000D+01 -0.719633D+01
      6   0.125057D+01 -0.120617D+02  0.114013D+02 -0.232611D+01  0.131621D+02
                36            37            38            39            40 
      1  -0.103889D+02  0.258484D+02 -0.571068D+01 -0.836668D+01 -0.482066D+01
      2   0.843361D+00 -0.126632D+02  0.686590D+00  0.525354D+01 -0.873761D-01
      3   0.954553D+01 -0.131852D+02  0.502409D+01  0.311315D+01  0.490804D+01
      4  -0.581916D+01 -0.163067D+02  0.109346D+02  0.651589D+01  0.104543D+02
      5   0.113649D+02 -0.149351D+02  0.526808D+01  0.114969D+02  0.330887D+01
      6  -0.156237D+02  0.698253D+01 -0.367468D+01 -0.550994D+01 -0.366819D+01
                41            42            43            44            45 
      1   0.304891D+01  0.984301D+00 -0.113342D+02  0.289020D+01  0.341933D+01
      2   0.826905D+00  0.494192D+00  0.751048D+01 -0.112548D+01 -0.557777D+01
      3  -0.387582D+01 -0.147849D+01  0.382373D+01 -0.176472D+01  0.215844D+01
      4  -0.709968D+01 -0.415332D+01  0.855492D+01 -0.530281D+01 -0.702950D+01
      5  -0.361400D+01 -0.368503D+01  0.137778D+02 -0.627361D+01 -0.120553D+02
      6   0.298621D+01  0.498751D+01 -0.602777D+01  0.589276D+01  0.551561D+01
                46            47            48            49            50 
      1   0.586078D+00 -0.110998D+00  0.241265D+00 -0.329953D+00 -0.431509D+01
      2  -0.340378D+01  0.593739D-03 -0.280287D-01  0.514002D+00  0.421219D+00
      3   0.281770D+01  0.110404D+00 -0.213236D+00 -0.184049D+00  0.389387D+01
      4  -0.346319D+00  0.240173D+01 -0.820881D+00  0.176707D+01 -0.513924D+00
      5   0.782217D+00 -0.957757D+00  0.862495D+01 -0.113143D+01  0.114257D+01
      6  -0.937611D+00 -0.190308D-01  0.519079D-01 -0.206716D-01 -0.280780D+01
                51            52            53            54            55 
      1   0.422702D+01 -0.672798D+00  0.361998D+01 -0.250416D+02  0.322871D+01
      2   0.536547D+00 -0.115236D+01  0.298463D+00 -0.146799D+02 -0.547550D+01
      3  -0.476357D+01  0.182516D+01 -0.391844D+01  0.397215D+02  0.224679D+01
      4   0.769774D+00 -0.371066D+00  0.333164D+00 -0.941867D+00  0.289265D+01
      5  -0.103095D+01  0.575643D+01 -0.752788D+00  0.417182D+01 -0.115473D+02
      6   0.782054D+01 -0.867545D+00  0.668703D+01 -0.628545D+01 -0.305610D+01
                56            57            58            59            60 
      1   0.260305D+01 -0.854152D+01  0.188610D+01 -0.155817D+02 -0.375734D+01
      2   0.170822D+00  0.344111D+01  0.694053D+00  0.259211D+01  0.526418D+00
      3  -0.277387D+01  0.510041D+01 -0.258015D+01  0.129896D+02  0.323092D+01
      4  -0.188801D+02 -0.491930D+01 -0.266206D+02  0.579854D+01 -0.747883D+01
      5  -0.471544D+01  0.182952D+01 -0.660183D+01 -0.711357D+01 -0.781884D+01
      6  -0.120036D+01 -0.683303D+00 -0.182974D+01 -0.350866D+01 -0.212130D+01
                61            62            63            64            65 
      1  -0.101703D+02 -0.462671D+01  0.695577D+01  0.338344D+00  0.285265D+00
      2   0.271055D+01 -0.435230D+00  0.184105D+01 -0.169494D+01 -0.405763D+00
      3   0.745975D+01  0.506195D+01 -0.879682D+01  0.135660D+01  0.120499D+00
      4  -0.656359D+01 -0.821100D+01 -0.776680D+01  0.271183D-01  0.289233D+01
      5  -0.103153D+01 -0.745963D+01  0.135461D+02 -0.104646D+01 -0.371071D+00
      6  -0.175453D+01 -0.140743D+01  0.193812D+01 -0.736537D+00  0.590549D+00
                66            67            68            69            70 
      1  -0.288092D+01  0.867959D+00 -0.751196D+00  0.225766D+01 -0.443530D+01
      2   0.133887D+01 -0.801130D+00  0.733261D+00 -0.174545D+00  0.413738D+01
      3   0.154205D+01 -0.668290D-01  0.179350D-01 -0.208311D+01  0.297922D+00
      4  -0.586432D+00  0.460893D+01  0.120502D+01 -0.236896D+01 -0.117339D+01
      5   0.471909D+01 -0.698582D+00 -0.210991D+01  0.428415D+01  0.717239D+01
      6   0.457520D+00 -0.385085D+00 -0.197050D+01  0.585698D+01  0.924032D+00
                71            72            73            74            75 
      1   0.248554D+01 -0.120601D+02  0.195861D+02 -0.103355D+02  0.132482D+01
      2  -0.211670D+00 -0.936322D+01 -0.647059D+01  0.292660D+01 -0.449628D+00
      3  -0.227387D+01  0.214233D+02 -0.131155D+02  0.740886D+01 -0.875192D+00
      4  -0.421590D+01  0.439733D+01 -0.142676D+02  0.167315D+02 -0.256923D+00
      5   0.385044D+01 -0.235700D+02  0.979433D+00 -0.133259D-01  0.460083D+01
      6   0.535021D+01 -0.537992D+01  0.388777D+00 -0.365510D+00 -0.879640D+00
                76            77            78            79            80 
      1  -0.136497D+02  0.653696D+01 -0.322420D+00  0.264703D+01  0.529334D+00
      2   0.226847D+01  0.650534D+01 -0.155642D+00 -0.843953D+00 -0.392116D+00
      3   0.113813D+02 -0.130423D+02  0.478062D+00 -0.180308D+01 -0.137218D+00
      4   0.214299D+02 -0.248771D+02  0.183733D+01 -0.389377D+00  0.244741D+01
      5   0.545651D+00  0.154031D+01 -0.495833D+01  0.575310D+01 -0.370394D+01
      6  -0.713009D+00  0.119759D+01  0.375558D+01 -0.199794D+01  0.408588D+01
                81            82            83            84            85 
      1   0.574465D+00  0.184414D+02  0.817492D+01  0.530185D+01  0.111286D+02
      2  -0.933739D+00 -0.650588D+01 -0.170498D+01 -0.199053D+01 -0.177155D+01
      3   0.359274D+00 -0.119355D+02 -0.646994D+01 -0.331132D+01 -0.935704D+01
      4  -0.307031D+01  0.140827D+02  0.151897D+02  0.493435D+01  0.193618D+02
      5  -0.260210D+00  0.671080D+01  0.428113D+01  0.670453D+01  0.559712D+01
      6  -0.125464D+01  0.252047D+01  0.901765D+00  0.131467D+01  0.238736D+01
                86            87            88            89            90 
      1   0.472557D+01  0.169549D+01  0.769626D+01  0.133967D+01  0.856619D+00
      2   0.617853D+01  0.789925D+00 -0.375656D+01  0.560107D+00 -0.248165D+01
      3  -0.109041D+02 -0.248542D+01 -0.393970D+01 -0.189978D+01  0.162503D+01
      4   0.191919D+02  0.692464D+01  0.703930D+01  0.809511D+01  0.664430D+01
      5   0.628136D+01  0.786221D+01  0.861312D+01  0.660064D+01  0.716279D+01
      6   0.415996D+01  0.445220D+01  0.310619D+01  0.465063D+01  0.411724D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 10 01:30:43 2021, MaxMem=  6442450944 cpu:             513.8 elap:              64.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.16111 -10.24387 -10.23615 -10.18701  -1.07992
 Alpha  occ. eigenvalues --   -0.75394  -0.66777  -0.60226  -0.51392  -0.47518
 Alpha  occ. eigenvalues --   -0.43283  -0.41006  -0.38144  -0.37288  -0.30950
 Alpha  occ. eigenvalues --   -0.27663
 Alpha virt. eigenvalues --   -0.00771   0.00841   0.00951   0.01965   0.03662
 Alpha virt. eigenvalues --    0.04398   0.04648   0.06631   0.07631   0.09029
 Alpha virt. eigenvalues --    0.09355   0.10505   0.10652   0.11061   0.11870
 Alpha virt. eigenvalues --    0.11992   0.13115   0.14219   0.15153   0.16464
 Alpha virt. eigenvalues --    0.16999   0.18938   0.20228   0.21507   0.22132
 Alpha virt. eigenvalues --    0.23063   0.24359   0.27233   0.28904   0.29274
 Alpha virt. eigenvalues --    0.31094   0.31852   0.33277   0.34622   0.34975
 Alpha virt. eigenvalues --    0.35780   0.36277   0.37443   0.39572   0.41137
 Alpha virt. eigenvalues --    0.42099   0.43565   0.44530   0.45883   0.46411
 Alpha virt. eigenvalues --    0.48019   0.49132   0.50499   0.51646   0.52791
 Alpha virt. eigenvalues --    0.53826   0.54281   0.55543   0.57252   0.57966
 Alpha virt. eigenvalues --    0.59236   0.61321   0.62177   0.63684   0.66923
 Alpha virt. eigenvalues --    0.69256   0.70883   0.73436   0.75053   0.76813
 Alpha virt. eigenvalues --    0.80079   0.85623   0.87638   0.91880   0.94644
 Alpha virt. eigenvalues --    0.96444   0.97734   1.00270   1.04534   1.07642
 Alpha virt. eigenvalues --    1.10170   1.15939   1.19186   1.21265   1.24236
 Alpha virt. eigenvalues --    1.29243   1.36579   1.40334   1.44015   1.45295
 Alpha virt. eigenvalues --    1.46714   1.48511   1.53065   1.55461   1.58835
 Alpha virt. eigenvalues --    1.61336   1.63423   1.64287   1.69298   1.71286
 Alpha virt. eigenvalues --    1.76015   1.77210   1.80711   1.84311   1.88250
 Alpha virt. eigenvalues --    1.89881   1.93219   1.96534   2.01015   2.04430
 Alpha virt. eigenvalues --    2.06290   2.09353   2.11840   2.14622   2.19526
 Alpha virt. eigenvalues --    2.21630   2.28991   2.32432   2.39788   2.42680
 Alpha virt. eigenvalues --    2.43427   2.49704   2.53993   2.65081   2.67305
 Alpha virt. eigenvalues --    2.70833   2.74268   2.86592   3.12180   3.34461
 Alpha virt. eigenvalues --    3.41154   3.42654   3.55177   3.56527   3.59496
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.479916  -0.377144   0.265347   0.042859  -0.145285  -0.128618
     2  C   -0.377144   5.188464  -0.117649  -0.082389   0.158482  -0.231382
     3  O    0.265347  -0.117649   8.754337  -0.072360  -0.081790  -0.120121
     4  H    0.042859  -0.082389  -0.072360   2.239721  -0.462053   0.098860
     5  H   -0.145285   0.158482  -0.081790  -0.462053   2.116129  -0.169917
     6  H   -0.128618  -0.231382  -0.120121   0.098860  -0.169917   2.344000
     7  C   -0.357956   0.382520  -0.037408  -0.153440   0.089912  -0.091548
     8  H   -0.208109  -0.054638  -0.030309  -0.030383   0.010124   0.088917
     9  H   -0.021049   0.230471   0.007951  -0.006640   0.001871  -0.053681
    10  H    0.086872  -0.101213   0.040128  -0.019441   0.015436  -0.112410
               7          8          9         10
     1  C   -0.357956  -0.208109  -0.021049   0.086872
     2  C    0.382520  -0.054638   0.230471  -0.101213
     3  O   -0.037408  -0.030309   0.007951   0.040128
     4  H   -0.153440  -0.030383  -0.006640  -0.019441
     5  H    0.089912   0.010124   0.001871   0.015436
     6  H   -0.091548   0.088917  -0.053681  -0.112410
     7  C    4.734139   0.414308   0.161698   0.247783
     8  H    0.414308   1.583375  -0.258867  -0.233137
     9  H    0.161698  -0.258867   1.335656  -0.214574
    10  H    0.247783  -0.233137  -0.214574   1.484212
 Mulliken charges:
               1
     1  C    1.363166
     2  C    1.004480
     3  O   -0.608127
     4  H   -0.554734
     5  H   -0.532909
     6  H   -0.624100
     7  C    0.609994
     8  H   -0.281280
     9  H   -0.182835
    10  H   -0.193655
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.275523
     2  C    0.380380
     3  O   -0.608127
     7  C   -0.047776
 Electronic spatial extent (au):  <R**2>=            267.8251
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8754    Y=              1.6712    Z=              0.6800  Tot=              2.0054
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -24.7071   YY=            -26.7117   ZZ=            -24.5570
   XY=             -2.3229   XZ=             -0.3814   YZ=             -1.1462
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6181   YY=             -1.3864   ZZ=              0.7683
   XY=             -2.3229   XZ=             -0.3814   YZ=             -1.1462
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.0445  YYY=             -1.5698  ZZZ=             -0.1672  XYY=              0.8521
  XXY=              1.4701  XXZ=              0.8987  XZZ=             -1.2047  YZZ=             -0.1459
  YYZ=             -0.0908  XYZ=              0.4738
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -221.9904 YYYY=            -78.6869 ZZZZ=            -57.5615 XXXY=             -1.5655
 XXXZ=             -0.0899 YYYX=             -0.5558 YYYZ=             -0.4521 ZZZX=              0.0643
 ZZZY=             -1.9577 XXYY=            -49.3173 XXZZ=            -46.9621 YYZZ=            -23.0900
 XXYZ=              1.3876 YYXZ=              0.9714 ZZXY=              0.2219
 N-N= 1.248292288098D+02 E-N=-6.999040269727D+02  KE= 1.919305912291D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 10 01:30:44 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.37216662D-01 6.51403454D-01 2.66668172D-01
 Polarizability= 4.48763905D+01-2.93312603D+00 3.57863909D+01
                 9.62235258D-01-1.23787392D+00 3.61062710D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3852   -0.3847       -1.2535   -1.2528
 2      0.3852    0.3847        0.2891    0.2893       -4.4374   -4.4368
 3      1.2535    1.2528        4.4925    4.4912       -0.2889   -0.2893
 4     -0.2891   -0.2893       -0.0000    0.0000        1.2541    1.2528
 5     -0.0551   -0.0544       -1.2541   -1.2528       -0.3838   -0.3847
 6      0.2889    0.2893        0.3838    0.3847       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1542    1.1542       -3.7585   -3.7585
 2     -0.8679   -0.8679       -0.0000    0.0000       -3.7585   -3.7585
 3     -0.8679   -0.8679        1.1542    1.1542        0.0000    0.0000
 4      1.1542    1.1542        0.8679    0.8679      -13.3103  -13.3103
 5      3.7585    3.7585       13.4735   13.4735       -0.8679   -0.8679
 6     -0.1632   -0.1632       -3.7585   -3.7585       -1.1542   -1.1542
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0006    0.0000        1.5345    1.5390        5.0093    5.0114
 2     -1.5379   -1.5390       -1.1460   -1.1572       17.7606   17.7471
 3     -5.0091   -5.0114      -17.9698  -17.9646        1.1680    1.1572
 4      1.1349    1.1572        0.0014    0.0000       -5.0151   -5.0114
 5      0.1966    0.2176        5.0052    5.0114        1.5382    1.5390
 6     -1.1639   -1.1572       -1.5352   -1.5390       -0.0016    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0141    0.0000       -2.6854   -2.6695        3.6337    3.6396
 2      2.6928    2.6695        0.7565    0.7508        0.1680    0.1309
 3     -3.6317   -3.6396       -4.7128   -4.7024       -0.7253   -0.7508
 4     -0.7496   -0.7508        0.0189    0.0000       -3.6323   -3.6396
 5      4.5864    4.5715        3.6375    3.6396       -2.6495   -2.6695
 6      0.7489    0.7508        2.6604    2.6695       -0.0050    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.7742   -4.7687       -3.9654   -3.9701        9.6450    9.6217
 2     -6.6385   -6.6584       -4.8313   -4.8395        9.6636    9.6217
 3     -6.6560   -6.6584       -3.9501   -3.9701       10.2940   10.2629
 4      0.8115    0.8694        1.9105    1.8897        2.0642    2.1168
 5      0.6023    0.6411       -7.2402   -7.2278       -1.8927   -1.8897
 6      5.0536    5.1110       -0.6141   -0.6411       -0.9372   -0.8694
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2549   -2.6807    0.0012    0.0012    0.0012    1.3940
 Low frequencies ---  208.5603  368.3053  412.7048
 Diagonal vibrational polarizability:
        2.4450325       2.1399991       1.0898724
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    208.5603               368.3052               412.7048
 Red. masses --      1.0932                 2.3273                 2.4401
 Frc consts  --      0.0280                 0.1860                 0.2449
 IR Inten    --      0.4184                 3.6511                 4.5016
 RamAct Fr= 1--      0.0647                 0.9156                 1.0047
  Dep-P Fr= 1--      0.6571                 0.5546                 0.2151
  Dep-U Fr= 1--      0.7930                 0.7135                 0.3541
 Alpha2 Fr= 1--      0.0001                 0.0034                 0.0131
 Beta2  Fr= 1--      0.0086                 0.1089                 0.0593
 AlphaG Fr= 1--      0.0010                 0.0001                -0.0081
 Gamma2 Fr= 1--     -0.0014                -0.1523                -0.0533
 Delta2 Fr= 1--     -0.0091                -0.0348                 0.0157
 Raman1 Fr= 1--       0.259                  3.662                  4.019
 ROA1   Fr= 1--      -0.424                -15.735                 -4.615
 CID1   Fr= 1--      -1.639                 -4.296                 -1.148
 Raman2 Fr= 1--       0.103                  1.306                  0.712
 ROA2   Fr= 1--       0.039                 -3.376                 -1.405
 CID2   Fr= 1--       0.381                 -2.584                 -1.975
 Raman3 Fr= 1--       0.205                  2.613                  1.423
 ROA3   Fr= 1--      -0.424                -15.735                 -4.615
 CID3   Fr= 1--      -2.067                 -6.022                 -3.243
 RC180  Fr= 1--       0.586                  0.427                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04     0.18   0.03  -0.07     0.08   0.01  -0.03
     2   6    -0.00   0.05   0.00     0.00  -0.17   0.02    -0.04   0.01   0.20
     3   8     0.02  -0.02   0.04    -0.14  -0.05   0.07     0.16   0.02  -0.05
     4   1    -0.03  -0.06  -0.07     0.45  -0.09  -0.13     0.36   0.09   0.05
     5   1    -0.03  -0.00  -0.06     0.17   0.31  -0.21    -0.13  -0.06  -0.27
     6   1     0.00   0.10   0.01     0.01  -0.15   0.02    -0.09  -0.06   0.19
     7   6     0.00  -0.01  -0.00    -0.04   0.13  -0.01    -0.19  -0.03  -0.06
     8   1     0.04   0.53   0.10    -0.13   0.38   0.05    -0.60  -0.11  -0.04
     9   1    -0.26  -0.22  -0.46     0.23   0.27  -0.25    -0.22  -0.06  -0.23
    10   1     0.25  -0.40   0.36    -0.25   0.18   0.16     0.03  -0.02  -0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    773.2803               846.2451               909.0682
 Red. masses --      3.6376                 3.1441                 1.2762
 Frc consts  --      1.2815                 1.3266                 0.6214
 IR Inten    --      7.6508                43.0417                 2.6520
 RamAct Fr= 1--      7.5421                 9.0025                 3.1971
  Dep-P Fr= 1--      0.5399                 0.5750                 0.6592
  Dep-U Fr= 1--      0.7012                 0.7301                 0.7946
 Alpha2 Fr= 1--      0.0305                 0.0296                 0.0052
 Beta2  Fr= 1--      0.8814                 1.0955                 0.4234
 AlphaG Fr= 1--      0.0264                -0.0146                 0.0048
 Gamma2 Fr= 1--      0.9456                -1.3184                -0.8106
 Delta2 Fr= 1--      0.4969                -0.0202                -0.7434
 Raman1 Fr= 1--      30.169                 36.010                 12.788
 ROA1   Fr= 1--     106.675               -127.214               -101.609
 CID1   Fr= 1--       3.536                 -3.533                 -7.946
 Raman2 Fr= 1--      10.577                 13.146                  5.081
 ROA2   Fr= 1--      18.719                -31.481                -13.508
 CID2   Fr= 1--       1.770                 -2.395                 -2.659
 Raman3 Fr= 1--      21.155                 26.292                 10.162
 ROA3   Fr= 1--     106.675               -127.214               -101.609
 CID3   Fr= 1--       5.043                 -4.838                 -9.999
 RC180  Fr= 1--       0.402                  0.460                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.22   0.05     0.20  -0.08   0.06    -0.01   0.05   0.07
     2   6    -0.09  -0.09  -0.22     0.04   0.22   0.00    -0.05   0.03  -0.02
     3   8     0.20  -0.10   0.06    -0.12  -0.16  -0.13    -0.01  -0.08   0.01
     4   1    -0.25   0.06  -0.07     0.03   0.04   0.13     0.51   0.11   0.16
     5   1     0.26   0.09   0.31     0.54   0.11   0.42    -0.34   0.02  -0.36
     6   1     0.04   0.23  -0.13    -0.04   0.33   0.01     0.20  -0.23  -0.08
     7   6    -0.21  -0.04   0.02    -0.10   0.05   0.05     0.01   0.06  -0.05
     8   1     0.16   0.05   0.01    -0.07  -0.08   0.02     0.37  -0.10  -0.12
     9   1    -0.18   0.01   0.22    -0.38  -0.10   0.16    -0.28  -0.09   0.25
    10   1    -0.49  -0.04   0.35     0.15  -0.07  -0.05     0.15  -0.10   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    975.4215              1043.2588              1130.8804
 Red. masses --      2.4011                 1.1810                 1.4750
 Frc consts  --      1.3460                 0.7573                 1.1114
 IR Inten    --     15.5528                 8.6648                 6.7644
 RamAct Fr= 1--      5.7628                 1.3077                 1.4250
  Dep-P Fr= 1--      0.1515                 0.3552                 0.4891
  Dep-U Fr= 1--      0.2632                 0.5242                 0.6569
 Alpha2 Fr= 1--      0.0887                 0.0113                 0.0074
 Beta2  Fr= 1--      0.2528                 0.1142                 0.1560
 AlphaG Fr= 1--      0.0312                 0.0232                -0.0147
 Gamma2 Fr= 1--      0.2635                 0.3328                -0.0983
 Delta2 Fr= 1--      0.0402                 0.3031                -0.1733
 Raman1 Fr= 1--      23.051                  5.231                  5.700
 ROA1   Fr= 1--      26.579                 41.652                -14.978
 CID1   Fr= 1--       1.153                  7.963                 -2.628
 Raman2 Fr= 1--       3.034                  1.371                  1.872
 ROA2   Fr= 1--       6.002                  5.564                 -0.972
 CID2   Fr= 1--       1.979                  4.058                 -0.519
 Raman3 Fr= 1--       6.067                  2.742                  3.744
 ROA3   Fr= 1--      26.579                 41.652                -14.978
 CID3   Fr= 1--       4.381                 15.191                 -4.000
 RC180  Fr= 1--      -0.474                  0.048                  0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.04     0.01   0.01   0.00    -0.06   0.01   0.10
     2   6    -0.13  -0.04   0.01    -0.03   0.04   0.04    -0.00   0.10   0.03
     3   8     0.01  -0.16  -0.02    -0.02  -0.03  -0.02     0.03  -0.04  -0.06
     4   1    -0.15   0.07  -0.04     0.16   0.37   0.26     0.16  -0.47  -0.19
     5   1    -0.03   0.11   0.06    -0.15  -0.31  -0.07    -0.02   0.62  -0.09
     6   1    -0.43   0.14   0.06    -0.03   0.54   0.14     0.02  -0.14  -0.02
     7   6     0.17   0.04   0.03     0.03  -0.08  -0.06     0.01  -0.09  -0.02
     8   1    -0.34  -0.07   0.04     0.14   0.17  -0.01    -0.01   0.18   0.04
     9   1     0.15  -0.02  -0.34     0.35   0.12  -0.07     0.32   0.10  -0.07
    10   1     0.46   0.07  -0.39    -0.32   0.05   0.16    -0.31   0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --   1158.5581              1167.6529              1190.1083
 Red. masses --      1.3981                 1.5867                 1.5879
 Frc consts  --      1.1056                 1.2746                 1.3251
 IR Inten    --      1.7277                 3.6287                 0.6942
 RamAct Fr= 1--      2.5369                 1.6984                 3.3492
  Dep-P Fr= 1--      0.6795                 0.4989                 0.1398
  Dep-U Fr= 1--      0.8091                 0.6657                 0.2454
 Alpha2 Fr= 1--      0.0032                 0.0084                 0.0531
 Beta2  Fr= 1--      0.3421                 0.1884                 0.1370
 AlphaG Fr= 1--      0.0002                -0.0085                 0.0213
 Gamma2 Fr= 1--      0.5060                 0.1436                -0.8697
 Delta2 Fr= 1--      0.0621                 0.1534                -0.4963
 Raman1 Fr= 1--      10.148                  6.794                 13.397
 ROA1   Fr= 1--      50.568                 18.696                -99.375
 CID1   Fr= 1--       4.983                  2.752                 -7.418
 Raman2 Fr= 1--       4.105                  2.261                  1.644
 ROA2   Fr= 1--      11.648                  2.220                -16.903
 CID2   Fr= 1--       2.837                  0.982                -10.284
 Raman3 Fr= 1--       8.211                  4.523                  3.287
 ROA3   Fr= 1--      50.568                 18.696                -99.375
 CID3   Fr= 1--       6.159                  4.134                -30.231
 RC180  Fr= 1--       0.618                  0.331                 -0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.09  -0.04    -0.05  -0.01  -0.05    -0.01  -0.05   0.11
     2   6    -0.08  -0.05   0.00     0.05   0.10  -0.12     0.06  -0.07  -0.14
     3   8     0.05   0.04   0.02     0.00  -0.03   0.06    -0.01   0.05  -0.02
     4   1     0.45   0.20   0.22     0.32   0.46   0.29     0.32  -0.28  -0.01
     5   1     0.41   0.47   0.37     0.02  -0.02   0.04    -0.27   0.06  -0.26
     6   1    -0.25   0.19   0.05     0.08  -0.42  -0.24    -0.02   0.68   0.01
     7   6     0.02   0.03  -0.04    -0.01  -0.06   0.10    -0.01   0.02   0.08
     8   1     0.17  -0.04  -0.07    -0.44   0.05   0.16    -0.31  -0.11   0.08
     9   1    -0.04  -0.01   0.02     0.13   0.00  -0.20    -0.12  -0.07  -0.11
    10   1     0.11  -0.04  -0.02    -0.10   0.13  -0.11     0.10   0.03  -0.10
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1295.6811              1407.4016              1441.0215
 Red. masses --      1.5711                 1.2498                 1.6122
 Frc consts  --      1.5540                 1.4586                 1.9724
 IR Inten    --      5.4334                 3.4464                21.3968
 RamAct Fr= 1--     22.5010                 1.3781                 8.7120
  Dep-P Fr= 1--      0.2139                 0.4494                 0.3373
  Dep-U Fr= 1--      0.3524                 0.6201                 0.5044
 Alpha2 Fr= 1--      0.2945                 0.0085                 0.0797
 Beta2  Fr= 1--      1.3215                 0.1424                 0.7325
 AlphaG Fr= 1--     -0.0463                 0.0034                -0.0435
 Gamma2 Fr= 1--      0.5321                 0.1446                -0.7208
 Delta2 Fr= 1--     -0.0059                 0.0656                -0.1900
 Raman1 Fr= 1--      90.004                  5.513                 34.848
 ROA1   Fr= 1--      50.888                 15.978                -75.279
 CID1   Fr= 1--       0.565                  2.899                 -2.160
 Raman2 Fr= 1--      15.858                  1.709                  8.789
 ROA2   Fr= 1--      12.817                  2.944                -15.781
 CID2   Fr= 1--       0.808                  1.723                 -1.795
 Raman3 Fr= 1--      31.716                  3.418                 17.579
 ROA3   Fr= 1--      50.888                 15.978                -75.279
 CID3   Fr= 1--       1.604                  4.674                 -4.282
 RC180  Fr= 1--      -0.295                  0.240                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.07     0.02  -0.01   0.01    -0.04   0.03   0.00
     2   6     0.09  -0.07   0.07    -0.07   0.01  -0.02     0.19  -0.02   0.00
     3   8    -0.01  -0.06  -0.05     0.00   0.02   0.00    -0.01  -0.04   0.00
     4   1    -0.09   0.22   0.02     0.08  -0.12  -0.05    -0.15   0.22   0.10
     5   1     0.05   0.32   0.06     0.04  -0.14   0.07    -0.15   0.24  -0.19
     6   1     0.82   0.26   0.16     0.31   0.01  -0.02    -0.61  -0.01  -0.01
     7   6    -0.02   0.02   0.03    -0.10  -0.03   0.07    -0.12   0.01  -0.01
     8   1    -0.09  -0.08   0.02     0.48   0.08   0.03     0.21  -0.02  -0.04
     9   1    -0.05  -0.01   0.02     0.37   0.21  -0.29     0.27   0.25   0.11
    10   1     0.07  -0.04   0.03     0.37  -0.03  -0.44     0.31  -0.29   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1483.2160              1496.8023              1532.1776
 Red. masses --      1.0508                 1.0594                 1.3754
 Frc consts  --      1.3620                 1.3984                 1.9024
 IR Inten    --      5.4887                 6.3102                 5.7259
 RamAct Fr= 1--      3.4739                 4.8354                 2.7832
  Dep-P Fr= 1--      0.7486                 0.7076                 0.3942
  Dep-U Fr= 1--      0.8562                 0.8288                 0.5654
 Alpha2 Fr= 1--      0.0001                 0.0036                 0.0210
 Beta2  Fr= 1--      0.4957                 0.6679                 0.2623
 AlphaG Fr= 1--      0.0015                -0.0092                -0.0086
 Gamma2 Fr= 1--     -0.3346                 1.6599                -0.5202
 Delta2 Fr= 1--     -0.0438                 0.4366                -0.1463
 Raman1 Fr= 1--      13.895                 19.342                 11.133
 ROA1   Fr= 1--     -33.517                173.320                -54.617
 CID1   Fr= 1--      -2.412                  8.961                 -4.906
 Raman2 Fr= 1--       5.949                  8.015                  3.148
 ROA2   Fr= 1--      -7.679                 36.344                -11.314
 CID2   Fr= 1--      -1.291                  4.535                 -3.595
 Raman3 Fr= 1--      11.898                 16.029                  6.295
 ROA3   Fr= 1--     -33.517                173.320                -54.617
 CID3   Fr= 1--      -2.817                 10.813                 -8.676
 RC180  Fr= 1--       0.712                  0.658                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.09   0.10  -0.03
     2   6     0.03  -0.03   0.01    -0.04   0.00  -0.02     0.10  -0.01   0.03
     3   8     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.02  -0.02  -0.01
     4   1    -0.10   0.09   0.05     0.12  -0.09  -0.05     0.53  -0.34  -0.24
     5   1    -0.03   0.11  -0.08     0.04  -0.12   0.09     0.10  -0.49   0.43
     6   1    -0.07   0.04   0.02     0.14   0.01  -0.02    -0.18  -0.01   0.03
     7   6     0.01  -0.05   0.00     0.00  -0.02  -0.04    -0.02  -0.00  -0.00
     8   1     0.14   0.62   0.13    -0.42   0.30   0.08     0.10   0.05  -0.00
     9   1    -0.28  -0.17   0.29     0.25   0.21   0.58    -0.11  -0.06   0.00
    10   1    -0.05   0.30  -0.49     0.34  -0.30   0.07    -0.08   0.07  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --   3032.9805              3083.5766              3090.9648
 Red. masses --      1.0353                 1.0500                 1.1007
 Frc consts  --      5.6113                 5.8826                 6.1961
 IR Inten    --     17.9721                27.9875                18.6482
 RamAct Fr= 1--    195.6645               115.8744                84.0348
  Dep-P Fr= 1--      0.0135                 0.0995                 0.7001
  Dep-U Fr= 1--      0.0267                 0.1809                 0.8236
 Alpha2 Fr= 1--      4.2129                 2.0315                 0.0730
 Beta2  Fr= 1--      0.8693                 3.4938                11.5356
 AlphaG Fr= 1--     -0.2486                 0.2780                 0.1581
 Gamma2 Fr= 1--     -0.3612                 7.7569                 1.2158
 Delta2 Fr= 1--      0.1030                 1.1298                 1.9163
 Raman1 Fr= 1--     782.658                463.498                336.139
 ROA1   Fr= 1--     -31.381                780.812                178.035
 CID1   Fr= 1--      -0.040                  1.685                  0.530
 Raman2 Fr= 1--      10.431                 41.926                138.427
 ROA2   Fr= 1--      -9.494                177.127                 13.848
 CID2   Fr= 1--      -0.910                  4.225                  0.100
 Raman3 Fr= 1--      20.862                 83.851                276.854
 ROA3   Fr= 1--     -31.381                780.812                178.035
 CID3   Fr= 1--      -1.504                  9.312                  0.643
 RC180  Fr= 1--      -0.947                 -0.638                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.04   0.04  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   1     0.00   0.01  -0.01    -0.07  -0.38   0.60    -0.00  -0.00   0.00
     5   1    -0.00   0.00   0.00     0.51  -0.15  -0.42    -0.00   0.00   0.00
     6   1     0.00  -0.01   0.03     0.00  -0.03   0.15     0.00   0.02  -0.11
     7   6     0.05   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.09  -0.03
     8   1     0.05  -0.10   0.48    -0.01   0.01  -0.06     0.01  -0.04   0.09
     9   1    -0.29   0.50  -0.06    -0.02   0.04  -0.00    -0.37   0.58  -0.08
    10   1    -0.33  -0.47  -0.28    -0.01  -0.01  -0.01     0.37   0.51   0.31
                     22                     23                     24
                      A                      A                      A
 Frequencies --   3091.8404              3114.6657              3167.3052
 Red. masses --      1.0901                 1.0998                 1.1202
 Frc consts  --      6.1397                 6.2862                 6.6211
 IR Inten    --     10.5636                37.0962                29.6776
 RamAct Fr= 1--    200.6070                28.3559                83.0953
  Dep-P Fr= 1--      0.3166                 0.1962                 0.6820
  Dep-U Fr= 1--      0.4809                 0.3280                 0.8109
 Alpha2 Fr= 1--      1.9566                 0.3890                 0.0996
 Beta2  Fr= 1--     16.0798                 1.5501                11.2306
 AlphaG Fr= 1--     -0.4273                -0.2208                 0.1961
 Gamma2 Fr= 1--    -15.6246                 2.8610                 3.8475
 Delta2 Fr= 1--    -11.3011                 2.7708                 3.2798
 Raman1 Fr= 1--     802.428                113.424                332.381
 ROA1   Fr= 1--   -1861.601                363.319                474.312
 CID1   Fr= 1--      -2.320                  3.203                  1.427
 Raman2 Fr= 1--     192.958                 18.602                134.767
 ROA2   Fr= 1--    -284.582                 46.498                 66.101
 CID2   Fr= 1--      -1.475                  2.500                  0.490
 Raman3 Fr= 1--     385.915                 37.203                269.533
 ROA3   Fr= 1--   -1861.601                363.319                474.312
 CID3   Fr= 1--      -4.824                  9.766                  1.760
 RC180  Fr= 1--      -0.038                 -0.344                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01    -0.00  -0.00   0.01     0.05   0.02  -0.08
     2   6     0.00   0.02  -0.07    -0.00   0.01  -0.04     0.00   0.00  -0.01
     3   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.02   0.09  -0.14     0.01   0.03  -0.05    -0.05  -0.36   0.56
     5   1    -0.06   0.01   0.04     0.04  -0.01  -0.03    -0.56   0.17   0.43
     6   1    -0.01  -0.17   0.82    -0.01  -0.10   0.48     0.00  -0.03   0.10
     7   6     0.01  -0.02   0.04    -0.03   0.02  -0.07    -0.00   0.00  -0.00
     8   1    -0.04   0.09  -0.42     0.06  -0.15   0.73     0.00  -0.01   0.03
     9   1    -0.12   0.21  -0.02     0.16  -0.28   0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.05  -0.02     0.15   0.22   0.12     0.01   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Molecular mass:    58.04186 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --    99.06019 270.16776 303.22575
           X            0.99884  -0.04603  -0.01409
           Y            0.04415   0.99263  -0.11282
           Z            0.01918   0.11207   0.99352
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.87436     0.32059     0.28564
 Rotational constants (GHZ):          18.21863     6.68008     5.95181
 Zero-point vibrational energy     223831.3 (Joules/Mol)
                                   53.49697 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.07   529.91   593.79  1112.58  1217.56
          (Kelvin)           1307.95  1403.41  1501.02  1627.08  1666.91
                             1679.99  1712.30  1864.20  2024.94  2073.31
                             2134.02  2153.56  2204.46  4363.78  4436.58
                             4447.21  4448.47  4481.31  4557.05
 
 Zero-point correction=                           0.085253 (Hartree/Particle)
 Thermal correction to Energy=                    0.089666
 Thermal correction to Enthalpy=                  0.090610
 Thermal correction to Gibbs Free Energy=         0.058882
 Sum of electronic and zero-point Energies=           -193.114009
 Sum of electronic and thermal Energies=              -193.109597
 Sum of electronic and thermal Enthalpies=            -193.108652
 Sum of electronic and thermal Free Energies=         -193.140380
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   56.266             14.762             66.776
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.096
 Rotational               0.889              2.981             23.610
 Vibrational             54.489              8.801              5.069
 Vibration     1          0.642              1.828              2.056
 Vibration     2          0.741              1.537              1.087
 Vibration     3          0.776              1.443              0.917
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.824081D-27        -27.084030        -62.363284
 Total V=0       0.134749D+13         12.129526         27.929265
 Vib (Bot)       0.147031D-38        -38.832591        -89.415345
 Vib (Bot)    1  0.952867D+00         -0.020968         -0.048280
 Vib (Bot)    2  0.494886D+00         -0.305495         -0.703428
 Vib (Bot)    3  0.427820D+00         -0.368739         -0.849053
 Vib (V=0)       0.240417D+01          0.380965          0.877204
 Vib (V=0)    1  0.157608D+01          0.197579          0.454943
 Vib (V=0)    2  0.120350D+01          0.080446          0.185234
 Vib (V=0)    3  0.115805D+01          0.063727          0.146737
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.173806D+08          7.240066         16.670868
 Rotational      0.322474D+05          4.508495         10.381193
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33333 3                                                           111 11    1  1111   1                                         
     11000 0                                                           544 44    2  1111   0 9  9  8 7              4 3     2        
     61998 3                                                           398 40    9  9653   4 7  0  4 7              1 6     0        
     75214 3                                                           273 17    6  0891   3 5  9  6 3              3 8     9        
 
     XXXXX X                                                           XXX XX    X  XXXX   X X  X  X X              X X     X        
     XXXXX X                                                           XXX XX    X   X X   X X     X X              X X              
     XXXXX X                                                           XXX X     X     X   X X     X X                               
     XXXXX X                                                               X               X X     X X                               
     XXXXX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                       X                                 
     XX XX                                                                 X                       X                                 
     XX  X                                                                 X                       X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
                                                                                                   X                                 
                                                                                                   X                                 
                                                                                                   X                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001753   -0.000000545    0.000000103
      2        6          -0.000002096   -0.000001456    0.000003468
      3        8          -0.000000351   -0.000000432    0.000000897
      4        1           0.000003247    0.000000589   -0.000003758
      5        1          -0.000001297    0.000000211    0.000001116
      6        1           0.000000049    0.000000068    0.000000469
      7        6           0.000002878   -0.000001473   -0.000003016
      8        1          -0.000003004    0.000001178    0.000001581
      9        1           0.000000402    0.000000237   -0.000000877
     10        1          -0.000001580    0.000001623    0.000000018
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000003758 RMS     0.000001730
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.522567D+00
      2 -0.157126D+00  0.439494D+00
      3 -0.108173D+00 -0.135505D+00  0.549398D+00
      4 -0.205289D+00  0.124831D+00 -0.607234D-01  0.592733D+00
      5  0.765727D-01 -0.498009D-01  0.516438D-01 -0.382914D-01  0.279221D+00
      6 -0.696786D-01  0.772233D-01 -0.862307D-01  0.336646D-01 -0.895262D-01
      7 -0.324195D-01 -0.100829D-02  0.168730D-01 -0.113853D+00 -0.483605D-01
      8  0.388367D-01 -0.217794D+00 -0.121355D-01 -0.866648D-01 -0.844057D-01
      9  0.258899D-01 -0.330541D-01 -0.546621D-01 -0.536510D-01 -0.378219D-01
     10 -0.535078D-01 -0.938752D-02  0.293756D-01  0.434096D-02  0.147296D-01
     11 -0.124654D-01 -0.112845D+00  0.118141D+00  0.127956D-03 -0.498189D-02
     12  0.275079D-01  0.123557D+00 -0.249626D+00  0.460161D-02  0.600940D-02
     13 -0.209076D+00  0.453904D-01  0.131543D+00 -0.135676D-01  0.288948D-02
     14  0.388132D-01 -0.541025D-01 -0.275256D-01 -0.126420D-02 -0.746937D-02
     15  0.131152D+00 -0.267949D-01 -0.156183D+00 -0.133386D-01  0.200689D-02
     16 -0.273725D-02  0.135840D-02 -0.197146D-01 -0.502986D-01 -0.204812D-02
     17 -0.415486D-02 -0.680000D-02  0.236040D-01  0.263555D-02 -0.577838D-01
     18 -0.745279D-03 -0.278877D-02 -0.323732D-02  0.118235D-01  0.603984D-01
     19 -0.188137D-01 -0.409320D-02  0.521320D-02 -0.181885D+00 -0.503361D-02
     20  0.227294D-01 -0.179650D-03 -0.171867D-01  0.171299D-02 -0.743107D-01
     21 -0.497664D-02 -0.265159D-02  0.172865D-02  0.647057D-01  0.805986D-02
     22  0.164073D-02  0.311829D-03  0.168179D-02  0.985356D-03 -0.636406D-02
     23  0.134417D-03  0.113671D-02 -0.851464D-03 -0.434617D-03 -0.201197D-02
     24 -0.103326D-02 -0.134984D-03  0.279418D-03 -0.165294D-02  0.243364D-02
     25 -0.344474D-02  0.572262D-03  0.529160D-02 -0.202283D-01  0.278409D-01
     26 -0.234901D-02  0.753746D-03 -0.374498D-03 -0.227063D-02  0.394280D-02
     27  0.944319D-03  0.399617D-03 -0.172869D-02  0.885914D-02 -0.143811D-01
     28  0.108053D-02 -0.849717D-03 -0.136733D-02 -0.129380D-01 -0.219349D-01
     29 -0.991628D-03  0.137592D-03  0.189888D-03 -0.382177D-03 -0.239906D-02
     30 -0.887061D-03 -0.250263D-03  0.262561D-03  0.571143D-02  0.111773D-01
                6             7             8             9            10 
      6  0.620284D+00
      7 -0.412045D-01  0.171671D+00
      8 -0.579937D-01  0.488325D-01  0.340333D+00
      9 -0.105293D+00  0.543535D-01  0.831523D-01  0.145693D+00
     10 -0.236221D-01 -0.314058D-03 -0.140659D-02  0.244505D-02  0.493774D-01
     11 -0.502454D-02  0.566348D-02 -0.275027D-01  0.256987D-01  0.633000D-02
     12 -0.121556D-01 -0.382412D-02 -0.485119D-02  0.158442D-01 -0.274379D-01
     13  0.185601D-01  0.657210D-02  0.523700D-02 -0.772865D-02  0.279189D-03
     14  0.175703D-02  0.307806D-01 -0.165903D-01 -0.174354D-01 -0.118415D-01
     15  0.120492D-01  0.510287D-02 -0.668230D-02 -0.739214D-03  0.186465D-01
     16  0.123893D-01 -0.675517D-02  0.288887D-02 -0.207564D-01 -0.158989D-02
     17  0.643553D-01 -0.519627D-02  0.587008D-02 -0.310666D-01  0.309743D-02
     18 -0.301865D+00 -0.124503D-01 -0.177007D-02 -0.132831D-01  0.450162D-03
     19  0.582050D-01 -0.236860D-01 -0.561593D-02 -0.136371D-02  0.150210D-02
     20  0.869755D-02 -0.342129D-01 -0.209315D-02  0.893042D-02 -0.134591D-02
     21 -0.118070D+00 -0.206588D-01 -0.231672D-02  0.884985D-02 -0.971823D-03
     22  0.331769D-01  0.294810D-02 -0.443335D-05 -0.176061D-02 -0.236067D-03
     23  0.262741D-02  0.597754D-03 -0.580863D-03  0.252871D-03  0.381633D-04
     24 -0.172650D-01 -0.471823D-03  0.223944D-03  0.247839D-02  0.749255D-03
     25 -0.469240D-02  0.332653D-02 -0.170325D-02 -0.955700D-03  0.411765D-03
     26 -0.966769D-03  0.211847D-02  0.129630D-02  0.507584D-03 -0.164323D-03
     27  0.183683D-02 -0.123467D-02  0.126764D-02  0.595382D-03  0.323041D-03
     28 -0.167983D-01 -0.748996D-02 -0.400084D-03  0.352766D-02 -0.263538D-03
     29 -0.114940D-02  0.785134D-03  0.146759D-02  0.836133D-03 -0.492901D-04
     30  0.670902D-02  0.351484D-02  0.110557D-02  0.516082D-03  0.422028D-04
               11            12            13            14            15 
     11  0.136927D+00
     12 -0.133919D+00  0.254914D+00
     13  0.495808D-03 -0.814634D-03  0.216528D+00
     14  0.712167D-02  0.869025D-02 -0.564753D-01  0.690496D-01
     15 -0.506683D-02 -0.113866D-01 -0.140335D+00  0.350583D-01  0.156294D+00
     16 -0.984815D-03 -0.747039D-03  0.929420D-03  0.886456D-03  0.410794D-03
     17  0.123473D-02  0.172391D-02 -0.826827D-03  0.348063D-03 -0.135112D-02
     18 -0.178809D-03  0.869703D-03 -0.471049D-03 -0.108204D-03  0.494254D-04
     19  0.201972D-03  0.111314D-02 -0.578771D-03 -0.679252D-03 -0.507797D-03
     20  0.159607D-03 -0.991024D-03  0.364351D-02  0.144052D-02  0.290643D-02
     21  0.922941D-03  0.688529D-03 -0.995543D-03  0.906235D-04 -0.759928D-03
     22  0.324974D-03 -0.504243D-03  0.165126D-03  0.145415D-03 -0.171597D-03
     23 -0.159620D-03 -0.148197D-03  0.338510D-04 -0.626311D-04  0.645385D-04
     24 -0.147628D-03  0.602047D-03 -0.148464D-03 -0.306311D-03  0.220988D-03
     25  0.274760D-04  0.194240D-03 -0.124519D-02 -0.580720D-03 -0.107130D-02
     26 -0.126657D-04 -0.982714D-04 -0.220168D-03  0.158106D-03 -0.517973D-04
     27 -0.169722D-03  0.260881D-03  0.378556D-03 -0.155993D-03  0.539021D-03
     28  0.278539D-03 -0.890155D-04 -0.607185D-05  0.215323D-03  0.112600D-03
     29  0.594475D-04  0.275982D-04 -0.167784D-03  0.106842D-03 -0.891889D-04
     30 -0.255962D-03 -0.106093D-04  0.117387D-04 -0.647009D-04 -0.837720D-04
               16            17            18            19            20 
     16  0.622571D-01
     17  0.373646D-02  0.542254D-01
     18 -0.112509D-02 -0.595022D-01  0.326445D+00
     19  0.169861D-02  0.166711D-02 -0.473351D-03  0.500119D+00
     20 -0.572941D-02  0.167721D-02  0.395190D-02 -0.766714D-02  0.554605D+00
     21  0.285766D-01  0.254975D-02 -0.970476D-02  0.329686D-01  0.268549D-03
     22 -0.533181D-02 -0.665199D-03  0.203307D-02 -0.500388D-01  0.593927D-02
     23 -0.440719D-03  0.900727D-03  0.897395D-04  0.587850D-02 -0.577923D-01
     24  0.261602D-02  0.138230D-03  0.554833D-03 -0.237798D-01  0.533873D-01
     25  0.902041D-03 -0.686461D-03  0.863378D-04 -0.113447D+00  0.112982D+00
     26  0.552699D-03  0.216284D-03 -0.513585D-03  0.114135D+00 -0.236827D+00
     27 -0.661125D-03 -0.194128D-03  0.263920D-03 -0.135523D-01  0.242170D-01
     28  0.925528D-03  0.393074D-03  0.871912D-03 -0.114870D+00 -0.980522D-01
     29 -0.219813D-03  0.111342D-03  0.421617D-03 -0.987935D-01 -0.186679D+00
     30 -0.988530D-03 -0.257173D-03 -0.925115D-04 -0.578230D-01 -0.841814D-01
               21            22            23            24            25 
     21  0.563747D+00
     22 -0.278030D-01  0.536781D-01
     23  0.531706D-01 -0.668060D-02  0.576919D-01
     24 -0.297257D+00  0.250954D-01 -0.588635D-01  0.323990D+00
     25 -0.138377D-01 -0.190441D-02  0.198673D-02 -0.439693D-03  0.126032D+00
     26  0.239484D-01  0.207073D-02 -0.500511D-02  0.558536D-03 -0.125785D+00
     27 -0.510743D-01 -0.159971D-01  0.273112D-01 -0.187242D-02  0.128245D-01
     28 -0.570074D-01 -0.190639D-02 -0.111348D-02 -0.934626D-03  0.959803D-02
     29 -0.840423D-01  0.492208D-02  0.588316D-02  0.271078D-02 -0.146543D-01
     30 -0.981485D-01 -0.157506D-01 -0.236531D-01 -0.117314D-01  0.260013D-02
               26            27            28            29            30 
     26  0.255462D+00
     27 -0.260045D-01  0.502147D-01
     28  0.119121D-01  0.811556D-02  0.125870D+00
     29 -0.199837D-01 -0.122900D-01  0.109551D+00  0.201296D+00
     30  0.299490D-02  0.964718D-03  0.635689D-01  0.933849D-01  0.101614D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.484442D+02 -0.250569D+01  0.769489D+00
      2  -0.250569D+01  0.395707D+02 -0.578618D+00
      3   0.769489D+00 -0.578618D+00  0.394619D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.826081D+00  0.854343D+00 -0.637313D+01
      2  -0.449393D+01  0.760650D+00  0.723179D+01
      3   0.370368D+01 -0.648098D+01 -0.152511D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.248236D+02 -0.991615D-01  0.253198D+01
      2  -0.147961D+02  0.503781D+01 -0.773087D+01
      3  -0.100275D+02 -0.493865D+01  0.519889D+01
      4   0.184429D+02  0.696207D+01 -0.137044D+01
      5   0.476697D+01  0.186977D+00  0.136204D+02
      6  -0.186948D+01 -0.485475D+01  0.144728D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.401543D+01  0.118240D+01 -0.446086D+01 -0.366521D-01 -0.833125D+00
      2   0.118240D+01 -0.410441D+00  0.211415D+01 -0.833125D+00  0.507616D+01
      3  -0.446086D+01  0.211415D+01 -0.104583D+00  0.110003D+01  0.245290D+01
                 6             7             8             9            10 
      1   0.110003D+01 -0.679782D+01  0.231379D+01  0.548701D+00  0.659343D+01
      2   0.245290D+01  0.231379D+01  0.236259D+01 -0.285600D+01 -0.138764D+01
      3  -0.240073D+01  0.548701D+00 -0.285600D+01  0.152612D+01  0.348162D+01
                11            12            13            14            15 
      1  -0.138764D+01  0.348162D+01 -0.182856D+01  0.472783D+01  0.414386D+00
      2   0.254768D+01  0.155295D+00  0.472783D+01 -0.259023D+00  0.134057D+01
      3   0.155295D+00 -0.396169D+00  0.414386D+00  0.134057D+01  0.126204D+01
                16            17            18            19            20 
      1   0.472495D+01  0.748121D+00  0.759066D+00 -0.369637D+01 -0.365553D+01
      2   0.748121D+00  0.119225D+01  0.173175D+01 -0.365553D+01 -0.943611D+00
      3   0.759066D+00  0.173175D+01 -0.828511D+01 -0.122702D+01 -0.281683D+00
                21            22            23            24            25 
      1  -0.122702D+01 -0.171376D+01 -0.303552D+01 -0.767191D+00 -0.171069D+01
      2  -0.281683D+00 -0.303552D+01 -0.900119D+01 -0.188660D+01 -0.133088D+01
      3   0.551538D+00 -0.767191D+00 -0.188660D+01 -0.403187D+00 -0.136348D+01
                26            27            28            29            30 
      1  -0.133088D+01 -0.136348D+01 -0.272361D+00  0.962509D+00 -0.314057D+00
      2  -0.149260D+01 -0.221516D+01  0.962509D+00 -0.798827D-02 -0.506009D+00
      3  -0.221516D+01 -0.117732D+01 -0.314057D+00 -0.506009D+00  0.242061D+00
                31            32            33            34            35 
      1   0.124574D+01 -0.759316D+00  0.361793D+00 -0.958941D+00  0.306340D+00
      2  -0.759316D+00  0.342301D+01 -0.293158D+01  0.306340D+00 -0.333650D+01
      3   0.361793D+00 -0.293158D+01  0.273604D+01 -0.787135D+00  0.334792D+01
                36            37            38            39            40 
      1  -0.787135D+00 -0.681371D+01  0.239282D+01  0.289751D+01  0.200884D+01
      2   0.334792D+01  0.239282D+01 -0.189156D+01 -0.103528D+01 -0.193488D+01
      3  -0.514061D+01  0.289751D+01 -0.103528D+01 -0.226813D+01 -0.727644D+00
                41            42            43            44            45 
      1  -0.193488D+01 -0.727644D+00  0.434604D+01 -0.147240D+01 -0.267784D+01
      2   0.133710D+01  0.597819D+00 -0.147240D+01  0.826126D+00  0.163961D+01
      3   0.597819D+00  0.921506D+00 -0.267784D+01  0.163961D+01  0.274271D+01
                46            47            48            49            50 
      1   0.814776D+00 -0.766796D-01  0.118156D+01 -0.206349D+00 -0.382048D+00
      2  -0.766796D-01 -0.127317D+00 -0.959066D-01 -0.382048D+00 -0.721400D+00
      3   0.118156D+01 -0.959066D-01  0.234981D+00 -0.404256D-01  0.119158D+01
                51            52            53            54            55 
      1  -0.404256D-01  0.160647D+01 -0.220455D+00  0.449775D+00 -0.192126D+01
      2   0.119158D+01 -0.220455D+00  0.124906D+01 -0.145146D+01  0.892331D+00
      3  -0.157556D+01  0.449775D+00 -0.145146D+01  0.108954D+02 -0.261962D+01
                56            57            58            59            60 
      1   0.892331D+00 -0.261962D+01  0.121293D+01 -0.617686D+01 -0.139473D+01
      2  -0.501614D+01 -0.125128D+01 -0.617686D+01  0.152003D+01 -0.167363D+01
      3  -0.125128D+01  0.751842D+00 -0.139473D+01 -0.167363D+01 -0.260032D+01
                61            62            63            64            65 
      1  -0.283231D+01 -0.135548D+01 -0.477526D+00 -0.342431D-01  0.129072D+00
      2  -0.135548D+01 -0.201751D+01 -0.227963D+01  0.129072D+00  0.387447D+00
      3  -0.477526D+00 -0.227963D+01  0.636126D+01 -0.570498D+00  0.134502D+00
                66            67            68            69            70 
      1  -0.570498D+00  0.376825D+00  0.850560D+00 -0.105468D+00 -0.199500D+01
      2   0.134502D+00  0.850560D+00  0.481115D+00 -0.941323D+00 -0.791455D-01
      3  -0.541779D+00 -0.105468D+00 -0.941323D+00  0.127361D+01  0.114231D+01
                71            72            73            74            75 
      1  -0.791455D-01  0.114231D+01  0.470887D+01 -0.261282D+01  0.338142D+00
      2  -0.131012D+01  0.121802D+01 -0.261282D+01  0.302851D+01 -0.104600D-01
      3   0.121802D+01 -0.803052D+01  0.338142D+00 -0.104600D-01  0.605397D+00
                76            77            78            79            80 
      1  -0.472292D+01  0.413973D+01  0.158373D+00  0.941103D+00 -0.553726D-01
      2   0.413973D+01 -0.584242D+01  0.362553D+00 -0.553726D-01  0.667133D+00
      3   0.158373D+00  0.362553D+00 -0.970613D+00  0.944858D+00 -0.666009D+00
                81            82            83            84            85 
      1   0.944858D+00  0.463630D+01  0.217354D+01  0.129323D+01  0.366390D+01
      2  -0.666009D+00  0.217354D+01  0.243342D+01  0.776667D+00  0.340363D+01
      3  -0.309212D+00  0.129323D+01  0.776667D+00  0.924840D+00  0.100087D+01
                86            87            88            89            90 
      1   0.340363D+01  0.100087D+01  0.267620D+01  0.114548D+01  0.146127D+01
      2   0.398660D+01  0.148771D+01  0.114548D+01  0.185958D+01  0.153096D+01
      3   0.148771D+01  0.175720D+01  0.146127D+01  0.153096D+01  0.141731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.672583D+01 -0.260274D+01 -0.255088D+00 -0.258448D+01 -0.143342D+01
      2   0.717657D+01 -0.416220D+01  0.190075D+01 -0.228680D+01 -0.209984D+01
      3   0.734808D+00 -0.416527D+01 -0.120946D+01  0.684489D+00  0.297080D+01
                 6             7             8             9            10 
      1   0.222552D+01 -0.339461D+01  0.585122D+01 -0.175150D+01 -0.240334D+01
      2   0.431090D+01 -0.204218D+01  0.476381D+01  0.182725D+00 -0.256349D+01
      3   0.445549D+01 -0.376706D+01  0.495514D+01 -0.279785D+01  0.101910D+01
                11            12            13            14            15 
      1   0.233832D+01 -0.292211D+00  0.261304D+01 -0.859834D+00 -0.234062D+01
      2   0.136970D+01 -0.178967D+01  0.209181D+01 -0.192826D+01 -0.548927D+00
      3  -0.203598D+01  0.109775D+00  0.572110D+01  0.929846D+00 -0.198580D+00
                16            17            18            19            20 
      1   0.883966D+00  0.493665D+00  0.173437D+01 -0.193672D+01 -0.722891D+00
      2  -0.862655D+01  0.611759D+00 -0.457737D+01  0.182197D+01  0.128264D+01
      3   0.127467D+01 -0.967780D+00 -0.492576D+00  0.172175D+01 -0.303692D+01
                21            22            23            24            25 
      1  -0.272253D+01 -0.126606D+01  0.273375D+01 -0.825615D+01 -0.132430D+01
      2   0.448858D+01 -0.167465D+01  0.248198D+01  0.255534D+01 -0.304997D+01
      3   0.196309D+00  0.863069D+01 -0.959351D+01 -0.161262D+01  0.284198D+01
                26            27            28            29            30 
      1   0.309941D+01 -0.222897D+01  0.231507D+00  0.621149D+00 -0.234495D+00
      2   0.178828D+01  0.206434D+01  0.108567D+01  0.350638D+00  0.264134D+00
      3  -0.980360D+00 -0.337020D+00  0.127412D+01  0.204708D+00 -0.523270D+00
                31            32            33            34            35 
      1  -0.308681D+00  0.886760D+00 -0.365177D+01  0.408683D+00 -0.480023D+00
      2   0.890936D+00  0.349039D+01 -0.347290D+01 -0.202364D+01 -0.392572D+01
      3   0.202222D+01  0.411317D+01 -0.317857D+01 -0.180953D+01 -0.393567D+01
                36            37            38            39            40 
      1   0.607978D+01 -0.323889D+01 -0.296013D+00  0.300552D+01  0.557863D+00
      2   0.621965D+01 -0.232970D+01  0.135310D+01  0.501623D+01  0.577250D+00
      3   0.418281D+01 -0.323897D+01 -0.283922D+01  0.112191D+01  0.354840D+00
                41            42            43            44            45 
      1  -0.426723D+00 -0.175002D+01  0.288109D+01 -0.411826D+00 -0.340785D+01
      2  -0.986948D+00 -0.209926D+01  0.126417D+01 -0.189269D+01 -0.445055D+01
      3   0.916394D+00  0.343037D+00  0.251399D+01  0.745071D+00 -0.459254D+00
                46            47            48            49            50 
      1   0.243578D-01  0.215958D+00  0.632523D+00 -0.445264D+00 -0.962436D+00
      2  -0.904756D-01 -0.104804D+00  0.320665D+00  0.689612D+00  0.906631D+00
      3  -0.268487D-01 -0.982218D+00  0.914096D-01  0.902838D+00 -0.154894D+00
                51            52            53            54            55 
      1   0.364430D+00 -0.378782D-01  0.445719D+01 -0.119479D+01  0.667806D+00
      2  -0.275561D+00 -0.453736D+01 -0.126977D+00  0.292919D+01 -0.523417D+01
      3  -0.281725D+00 -0.689027D+00 -0.372066D+00 -0.334289D+00 -0.887227D+00
                56            57            58            59            60 
      1   0.120021D+01  0.129553D+00  0.224490D+01 -0.173691D+00 -0.557223D+00
      2  -0.182506D+01  0.282511D+01 -0.222571D+01 -0.407582D+01 -0.434954D+01
      3   0.752041D+01  0.224975D+01  0.149696D+02 -0.352063D+01  0.266853D+01
                61            62            63            64            65 
      1  -0.138280D+00  0.263050D+01  0.499149D+00  0.275031D-01  0.212891D+00
      2  -0.454283D+01 -0.400889D+01  0.927637D+01 -0.188125D+01  0.129370D+00
      3   0.158283D+01  0.328446D+01  0.422567D+01 -0.370896D+00 -0.102752D+01
                66            67            68            69            70 
      1  -0.729502D-01  0.106525D+00 -0.375126D+00 -0.901640D+00 -0.236092D+00
      2   0.638494D+00  0.451565D+00 -0.119273D+01  0.257674D+01 -0.176844D+01
      3  -0.346227D+00 -0.981176D-01 -0.613274D+00  0.147409D+01 -0.583543D+00
                71            72            73            74            75 
      1   0.288128D+01  0.893415D+00  0.548271D+00 -0.744259D+00  0.838642D+00
      2   0.251084D+01 -0.140093D+02  0.470131D+00 -0.349056D+00  0.269385D+01
      3   0.242998D+01 -0.235898D+01  0.435738D+01 -0.733942D+01 -0.964919D-02
                76            77            78            79            80 
      1  -0.774233D+00  0.109197D+01 -0.234090D+01  0.319479D+00  0.712244D+00
      2   0.119589D+00  0.914151D+00 -0.302036D+01  0.493096D+00 -0.924564D+00
      3  -0.511026D+01  0.112581D+02 -0.652444D+00 -0.275624D+00 -0.125418D+01
                81            82            83            84            85 
      1   0.961304D-01 -0.646318D+00 -0.222627D+00 -0.102896D+01 -0.528769D+00
      2  -0.616583D+00  0.192989D+01  0.166659D+01  0.337241D+01  0.136640D+01
      3   0.746501D+00 -0.332974D+01 -0.608422D+01 -0.139164D+01 -0.385431D+01
                86            87            88            89            90 
      1  -0.192166D+00 -0.252219D+01 -0.615526D+00  0.552011D+00 -0.100864D+01
      2   0.249045D+01  0.432356D+01  0.610617D+00  0.245825D+01  0.259776D+01
      3  -0.756010D+01 -0.263342D+01 -0.108868D+01 -0.390460D+01 -0.237502D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287343D+00  0.207898D+00  0.102335D+02  0.811802D+01  0.779730D+00
      2   0.108405D+01 -0.713649D-01 -0.547708D+01 -0.747140D+01  0.452338D+01
      3  -0.137139D+01 -0.136534D+00 -0.475645D+01 -0.646617D+00 -0.530311D+01
      4   0.244624D+01 -0.111524D+01 -0.972357D+01 -0.240659D+01 -0.589637D+01
      5   0.175331D+02 -0.763972D+01 -0.258718D+01 -0.445518D+01 -0.194369D+01
      6  -0.790277D+01  0.352187D+01  0.379057D+01  0.421162D+01  0.885396D+01
                 6             7             8             9            10 
      1  -0.105889D+02  0.134684D+02 -0.992597D+01  0.239237D+01 -0.116255D+02
      2   0.676715D+01 -0.692646D+01  0.749798D+01 -0.269184D+01  0.333489D+01
      3   0.382178D+01 -0.654198D+01  0.242799D+01  0.299462D+00  0.829066D+01
      4   0.389175D+00 -0.810162D+01 -0.184597D+01  0.624119D+01  0.434950D+00
      5   0.115251D+02 -0.305236D+01  0.650860D+01  0.114881D+01  0.824332D+00
      6  -0.124518D+02  0.304037D+01 -0.826766D+01  0.509813D+01  0.124074D+01
                11            12            13            14            15 
      1  -0.182762D+01  0.503920D+01 -0.231051D+00 -0.130585D+01  0.114239D+01
      2   0.967426D+00  0.115683D+00 -0.103702D+01  0.189293D+01 -0.179728D+01
      3   0.860191D+00 -0.515488D+01  0.126807D+01 -0.587075D+00  0.654892D+00
      4  -0.676948D+01  0.222130D+01  0.684347D+00 -0.310874D+01 -0.126429D+01
      5   0.131574D+01 -0.875637D+01  0.219600D+01 -0.891717D+00 -0.480913D+00
      6   0.817554D-01  0.967813D+00  0.127744D+01 -0.461084D+00  0.347221D+01
                16            17            18            19            20 
      1   0.864414D+00 -0.254241D+01  0.143278D+02  0.674059D+01  0.629997D+01
      2  -0.102717D+01  0.427243D+00  0.677468D+01 -0.664046D-01 -0.255262D+01
      3   0.162758D+00  0.211517D+01 -0.211025D+02 -0.667419D+01 -0.374736D+01
      4   0.176466D+01 -0.138612D+01  0.204132D+01  0.108246D+02  0.145251D+02
      5   0.155572D+01  0.997273D+00 -0.593173D+01  0.207784D+01  0.309138D+01
      6   0.724639D+00 -0.234667D-01  0.510140D+01  0.335765D+01  0.135696D+01
                21            22            23            24            25 
      1  -0.257753D+01  0.619854D+00 -0.108708D+02 -0.217337D+01  0.944887D+00
      2  -0.249002D+01  0.348324D+01  0.187918D+02 -0.194191D+01 -0.512246D+00
      3   0.506755D+01 -0.410309D+01 -0.792092D+01  0.411528D+01 -0.432641D+00
      4   0.330417D+01  0.140977D+02  0.189194D+02  0.121119D+01  0.240031D+01
      5   0.903227D+01  0.376003D+01  0.790045D+00  0.682622D+00  0.473957D+01
      6   0.375189D+00 -0.174081D+01  0.303338D+01  0.122887D+02  0.267299D+01
                26            27            28            29            30 
      1  -0.188118D+01 -0.734370D+01  0.116098D+01 -0.292726D+01  0.125197D+01
      2  -0.204342D+00 -0.389250D-01 -0.434768D+00  0.165315D+01 -0.226906D+00
      3   0.208552D+01  0.738263D+01 -0.726212D+00  0.127410D+01 -0.102506D+01
      4   0.432252D+01  0.530350D+01 -0.229340D+01  0.366055D+01 -0.124721D+01
      5   0.492365D+01  0.519234D+01 -0.609445D+00 -0.837639D+00  0.379739D+01
      6   0.944065D+01  0.619459D+01 -0.185716D+01 -0.119333D+01  0.115212D+00
                31            32            33            34            35 
      1  -0.191867D+01 -0.864699D+01  0.692095D+01  0.478575D+00  0.849730D+01
      2   0.867790D+00  0.102955D+02 -0.581635D+01 -0.652636D+00 -0.602921D+01
      3   0.105088D+01 -0.164851D+01 -0.110459D+01  0.174061D+00 -0.246809D+01
      4   0.506733D+01 -0.612472D+01  0.490279D+01 -0.316015D+01  0.576361D+01
      5  -0.252065D+01  0.591861D+01 -0.638000D+01  0.515999D+01 -0.719633D+01
      6   0.125057D+01 -0.120617D+02  0.114013D+02 -0.232611D+01  0.131621D+02
                36            37            38            39            40 
      1  -0.103889D+02  0.258484D+02 -0.571068D+01 -0.836668D+01 -0.482066D+01
      2   0.843363D+00 -0.126632D+02  0.686588D+00  0.525353D+01 -0.873775D-01
      3   0.954553D+01 -0.131852D+02  0.502409D+01  0.311315D+01  0.490804D+01
      4  -0.581916D+01 -0.163067D+02  0.109346D+02  0.651589D+01  0.104543D+02
      5   0.113649D+02 -0.149351D+02  0.526808D+01  0.114969D+02  0.330887D+01
      6  -0.156237D+02  0.698253D+01 -0.367468D+01 -0.550994D+01 -0.366819D+01
                41            42            43            44            45 
      1   0.304891D+01  0.984301D+00 -0.113342D+02  0.289020D+01  0.341932D+01
      2   0.826907D+00  0.494193D+00  0.751047D+01 -0.112548D+01 -0.557777D+01
      3  -0.387582D+01 -0.147849D+01  0.382373D+01 -0.176472D+01  0.215844D+01
      4  -0.709968D+01 -0.415333D+01  0.855492D+01 -0.530281D+01 -0.702950D+01
      5  -0.361400D+01 -0.368503D+01  0.137778D+02 -0.627361D+01 -0.120553D+02
      6   0.298621D+01  0.498752D+01 -0.602777D+01  0.589277D+01  0.551561D+01
                46            47            48            49            50 
      1   0.586078D+00 -0.110998D+00  0.241265D+00 -0.329953D+00 -0.431509D+01
      2  -0.340378D+01  0.593558D-03 -0.280282D-01  0.514002D+00  0.421219D+00
      3   0.281770D+01  0.110405D+00 -0.213237D+00 -0.184049D+00  0.389387D+01
      4  -0.346319D+00  0.240173D+01 -0.820881D+00  0.176707D+01 -0.513924D+00
      5   0.782217D+00 -0.957757D+00  0.862495D+01 -0.113143D+01  0.114257D+01
      6  -0.937611D+00 -0.190310D-01  0.519078D-01 -0.206718D-01 -0.280780D+01
                51            52            53            54            55 
      1   0.422702D+01 -0.672797D+00  0.361998D+01 -0.250416D+02  0.322871D+01
      2   0.536547D+00 -0.115236D+01  0.298463D+00 -0.146799D+02 -0.547550D+01
      3  -0.476357D+01  0.182516D+01 -0.391844D+01  0.397215D+02  0.224679D+01
      4   0.769774D+00 -0.371066D+00  0.333163D+00 -0.941865D+00  0.289264D+01
      5  -0.103095D+01  0.575643D+01 -0.752788D+00  0.417182D+01 -0.115473D+02
      6   0.782054D+01 -0.867545D+00  0.668703D+01 -0.628545D+01 -0.305610D+01
                56            57            58            59            60 
      1   0.260304D+01 -0.854152D+01  0.188609D+01 -0.155817D+02 -0.375734D+01
      2   0.170830D+00  0.344111D+01  0.694064D+00  0.259211D+01  0.526420D+00
      3  -0.277387D+01  0.510041D+01 -0.258015D+01  0.129896D+02  0.323092D+01
      4  -0.188801D+02 -0.491930D+01 -0.266206D+02  0.579855D+01 -0.747883D+01
      5  -0.471543D+01  0.182952D+01 -0.660183D+01 -0.711357D+01 -0.781884D+01
      6  -0.120036D+01 -0.683304D+00 -0.182974D+01 -0.350865D+01 -0.212129D+01
                61            62            63            64            65 
      1  -0.101703D+02 -0.462672D+01  0.695577D+01  0.338345D+00  0.285266D+00
      2   0.271055D+01 -0.435228D+00  0.184106D+01 -0.169494D+01 -0.405764D+00
      3   0.745975D+01  0.506194D+01 -0.879682D+01  0.135660D+01  0.120498D+00
      4  -0.656359D+01 -0.821100D+01 -0.776680D+01  0.271193D-01  0.289233D+01
      5  -0.103154D+01 -0.745963D+01  0.135461D+02 -0.104646D+01 -0.371071D+00
      6  -0.175453D+01 -0.140743D+01  0.193812D+01 -0.736537D+00  0.590549D+00
                66            67            68            69            70 
      1  -0.288092D+01  0.867960D+00 -0.751196D+00  0.225766D+01 -0.443530D+01
      2   0.133887D+01 -0.801131D+00  0.733261D+00 -0.174545D+00  0.413738D+01
      3   0.154205D+01 -0.668292D-01  0.179350D-01 -0.208311D+01  0.297921D+00
      4  -0.586431D+00  0.460893D+01  0.120502D+01 -0.236896D+01 -0.117339D+01
      5   0.471909D+01 -0.698582D+00 -0.210991D+01  0.428415D+01  0.717239D+01
      6   0.457521D+00 -0.385085D+00 -0.197050D+01  0.585698D+01  0.924032D+00
                71            72            73            74            75 
      1   0.248554D+01 -0.120601D+02  0.195861D+02 -0.103355D+02  0.132482D+01
      2  -0.211670D+00 -0.936322D+01 -0.647058D+01  0.292660D+01 -0.449628D+00
      3  -0.227387D+01  0.214233D+02 -0.131155D+02  0.740886D+01 -0.875192D+00
      4  -0.421590D+01  0.439733D+01 -0.142676D+02  0.167315D+02 -0.256923D+00
      5   0.385044D+01 -0.235700D+02  0.979433D+00 -0.133258D-01  0.460083D+01
      6   0.535021D+01 -0.537992D+01  0.388777D+00 -0.365510D+00 -0.879640D+00
                76            77            78            79            80 
      1  -0.136497D+02  0.653695D+01 -0.322419D+00  0.264703D+01  0.529334D+00
      2   0.226847D+01  0.650535D+01 -0.155643D+00 -0.843953D+00 -0.392117D+00
      3   0.113813D+02 -0.130423D+02  0.478062D+00 -0.180308D+01 -0.137217D+00
      4   0.214299D+02 -0.248771D+02  0.183733D+01 -0.389377D+00  0.244741D+01
      5   0.545651D+00  0.154031D+01 -0.495833D+01  0.575310D+01 -0.370394D+01
      6  -0.713009D+00  0.119759D+01  0.375558D+01 -0.199794D+01  0.408588D+01
                81            82            83            84            85 
      1   0.574464D+00  0.184414D+02  0.817492D+01  0.530185D+01  0.111286D+02
      2  -0.933738D+00 -0.650588D+01 -0.170499D+01 -0.199053D+01 -0.177155D+01
      3   0.359274D+00 -0.119355D+02 -0.646994D+01 -0.331132D+01 -0.935704D+01
      4  -0.307031D+01  0.140827D+02  0.151897D+02  0.493435D+01  0.193618D+02
      5  -0.260210D+00  0.671080D+01  0.428113D+01  0.670453D+01  0.559712D+01
      6  -0.125464D+01  0.252047D+01  0.901765D+00  0.131467D+01  0.238736D+01
                86            87            88            89            90 
      1   0.472557D+01  0.169550D+01  0.769626D+01  0.133968D+01  0.856622D+00
      2   0.617852D+01  0.789923D+00 -0.375656D+01  0.560105D+00 -0.248165D+01
      3  -0.109041D+02 -0.248542D+01 -0.393970D+01 -0.189978D+01  0.162503D+01
      4   0.191919D+02  0.692464D+01  0.703930D+01  0.809510D+01  0.664430D+01
      5   0.628136D+01  0.786221D+01  0.861312D+01  0.660064D+01  0.716279D+01
      6   0.415996D+01  0.445220D+01  0.310619D+01  0.465063D+01  0.411724D+01
 Leave Link  716 at Sat Jul 10 01:30:44 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.484442D+02 -0.250569D+01  0.769489D+00
      2  -0.250569D+01  0.395707D+02 -0.578618D+00
      3   0.769489D+00 -0.578618D+00  0.394619D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.826081D+00  0.854343D+00 -0.637313D+01
      2  -0.449393D+01  0.760650D+00  0.723179D+01
      3   0.370368D+01 -0.648098D+01 -0.152511D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.248236D+02 -0.991615D-01  0.253198D+01
      2  -0.147961D+02  0.503781D+01 -0.773087D+01
      3  -0.100275D+02 -0.493865D+01  0.519889D+01
      4   0.184429D+02  0.696207D+01 -0.137044D+01
      5   0.476697D+01  0.186977D+00  0.136204D+02
      6  -0.186948D+01 -0.485475D+01  0.144728D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.401543D+01  0.118240D+01 -0.446086D+01 -0.366521D-01 -0.833125D+00
      2   0.118240D+01 -0.410441D+00  0.211415D+01 -0.833125D+00  0.507616D+01
      3  -0.446086D+01  0.211415D+01 -0.104583D+00  0.110003D+01  0.245290D+01
                 6             7             8             9            10 
      1   0.110003D+01 -0.679782D+01  0.231379D+01  0.548701D+00  0.659343D+01
      2   0.245290D+01  0.231379D+01  0.236259D+01 -0.285600D+01 -0.138764D+01
      3  -0.240073D+01  0.548701D+00 -0.285600D+01  0.152612D+01  0.348162D+01
                11            12            13            14            15 
      1  -0.138764D+01  0.348162D+01 -0.182856D+01  0.472783D+01  0.414386D+00
      2   0.254768D+01  0.155295D+00  0.472783D+01 -0.259023D+00  0.134057D+01
      3   0.155295D+00 -0.396169D+00  0.414386D+00  0.134057D+01  0.126204D+01
                16            17            18            19            20 
      1   0.472495D+01  0.748121D+00  0.759066D+00 -0.369637D+01 -0.365553D+01
      2   0.748121D+00  0.119225D+01  0.173175D+01 -0.365553D+01 -0.943611D+00
      3   0.759066D+00  0.173175D+01 -0.828511D+01 -0.122702D+01 -0.281683D+00
                21            22            23            24            25 
      1  -0.122702D+01 -0.171376D+01 -0.303552D+01 -0.767191D+00 -0.171069D+01
      2  -0.281683D+00 -0.303552D+01 -0.900119D+01 -0.188660D+01 -0.133088D+01
      3   0.551538D+00 -0.767191D+00 -0.188660D+01 -0.403187D+00 -0.136348D+01
                26            27            28            29            30 
      1  -0.133088D+01 -0.136348D+01 -0.272361D+00  0.962509D+00 -0.314057D+00
      2  -0.149260D+01 -0.221516D+01  0.962509D+00 -0.798827D-02 -0.506009D+00
      3  -0.221516D+01 -0.117732D+01 -0.314057D+00 -0.506009D+00  0.242061D+00
                31            32            33            34            35 
      1   0.124574D+01 -0.759316D+00  0.361793D+00 -0.958941D+00  0.306340D+00
      2  -0.759316D+00  0.342301D+01 -0.293158D+01  0.306340D+00 -0.333650D+01
      3   0.361793D+00 -0.293158D+01  0.273604D+01 -0.787135D+00  0.334792D+01
                36            37            38            39            40 
      1  -0.787135D+00 -0.681371D+01  0.239282D+01  0.289751D+01  0.200884D+01
      2   0.334792D+01  0.239282D+01 -0.189156D+01 -0.103528D+01 -0.193488D+01
      3  -0.514061D+01  0.289751D+01 -0.103528D+01 -0.226813D+01 -0.727644D+00
                41            42            43            44            45 
      1  -0.193488D+01 -0.727644D+00  0.434604D+01 -0.147240D+01 -0.267784D+01
      2   0.133710D+01  0.597819D+00 -0.147240D+01  0.826126D+00  0.163961D+01
      3   0.597819D+00  0.921506D+00 -0.267784D+01  0.163961D+01  0.274271D+01
                46            47            48            49            50 
      1   0.814776D+00 -0.766796D-01  0.118156D+01 -0.206349D+00 -0.382048D+00
      2  -0.766796D-01 -0.127317D+00 -0.959066D-01 -0.382048D+00 -0.721400D+00
      3   0.118156D+01 -0.959066D-01  0.234981D+00 -0.404256D-01  0.119158D+01
                51            52            53            54            55 
      1  -0.404256D-01  0.160647D+01 -0.220455D+00  0.449775D+00 -0.192126D+01
      2   0.119158D+01 -0.220455D+00  0.124906D+01 -0.145146D+01  0.892331D+00
      3  -0.157556D+01  0.449775D+00 -0.145146D+01  0.108954D+02 -0.261962D+01
                56            57            58            59            60 
      1   0.892331D+00 -0.261962D+01  0.121293D+01 -0.617686D+01 -0.139473D+01
      2  -0.501614D+01 -0.125128D+01 -0.617686D+01  0.152003D+01 -0.167363D+01
      3  -0.125128D+01  0.751842D+00 -0.139473D+01 -0.167363D+01 -0.260032D+01
                61            62            63            64            65 
      1  -0.283231D+01 -0.135548D+01 -0.477526D+00 -0.342431D-01  0.129072D+00
      2  -0.135548D+01 -0.201751D+01 -0.227963D+01  0.129072D+00  0.387447D+00
      3  -0.477526D+00 -0.227963D+01  0.636126D+01 -0.570498D+00  0.134502D+00
                66            67            68            69            70 
      1  -0.570498D+00  0.376825D+00  0.850560D+00 -0.105468D+00 -0.199500D+01
      2   0.134502D+00  0.850560D+00  0.481115D+00 -0.941323D+00 -0.791455D-01
      3  -0.541779D+00 -0.105468D+00 -0.941323D+00  0.127361D+01  0.114231D+01
                71            72            73            74            75 
      1  -0.791455D-01  0.114231D+01  0.470887D+01 -0.261282D+01  0.338142D+00
      2  -0.131012D+01  0.121802D+01 -0.261282D+01  0.302851D+01 -0.104600D-01
      3   0.121802D+01 -0.803052D+01  0.338142D+00 -0.104600D-01  0.605397D+00
                76            77            78            79            80 
      1  -0.472292D+01  0.413973D+01  0.158373D+00  0.941103D+00 -0.553726D-01
      2   0.413973D+01 -0.584242D+01  0.362553D+00 -0.553726D-01  0.667133D+00
      3   0.158373D+00  0.362553D+00 -0.970613D+00  0.944858D+00 -0.666009D+00
                81            82            83            84            85 
      1   0.944858D+00  0.463630D+01  0.217354D+01  0.129323D+01  0.366390D+01
      2  -0.666009D+00  0.217354D+01  0.243342D+01  0.776667D+00  0.340363D+01
      3  -0.309212D+00  0.129323D+01  0.776667D+00  0.924840D+00  0.100087D+01
                86            87            88            89            90 
      1   0.340363D+01  0.100087D+01  0.267620D+01  0.114548D+01  0.146127D+01
      2   0.398660D+01  0.148771D+01  0.114548D+01  0.185958D+01  0.153096D+01
      3   0.148771D+01  0.175720D+01  0.146127D+01  0.153096D+01  0.141731D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.672583D+01 -0.260274D+01 -0.255088D+00 -0.258448D+01 -0.143342D+01
      2   0.717657D+01 -0.416220D+01  0.190075D+01 -0.228680D+01 -0.209984D+01
      3   0.734808D+00 -0.416527D+01 -0.120946D+01  0.684489D+00  0.297080D+01
                 6             7             8             9            10 
      1   0.222552D+01 -0.339461D+01  0.585122D+01 -0.175150D+01 -0.240334D+01
      2   0.431090D+01 -0.204218D+01  0.476381D+01  0.182725D+00 -0.256349D+01
      3   0.445549D+01 -0.376706D+01  0.495514D+01 -0.279785D+01  0.101910D+01
                11            12            13            14            15 
      1   0.233832D+01 -0.292211D+00  0.261304D+01 -0.859834D+00 -0.234062D+01
      2   0.136970D+01 -0.178967D+01  0.209181D+01 -0.192826D+01 -0.548927D+00
      3  -0.203598D+01  0.109775D+00  0.572110D+01  0.929846D+00 -0.198580D+00
                16            17            18            19            20 
      1   0.883966D+00  0.493665D+00  0.173437D+01 -0.193672D+01 -0.722891D+00
      2  -0.862655D+01  0.611759D+00 -0.457737D+01  0.182197D+01  0.128264D+01
      3   0.127467D+01 -0.967780D+00 -0.492576D+00  0.172175D+01 -0.303692D+01
                21            22            23            24            25 
      1  -0.272253D+01 -0.126606D+01  0.273375D+01 -0.825615D+01 -0.132430D+01
      2   0.448858D+01 -0.167465D+01  0.248198D+01  0.255534D+01 -0.304997D+01
      3   0.196309D+00  0.863069D+01 -0.959351D+01 -0.161262D+01  0.284198D+01
                26            27            28            29            30 
      1   0.309941D+01 -0.222897D+01  0.231507D+00  0.621149D+00 -0.234495D+00
      2   0.178828D+01  0.206434D+01  0.108567D+01  0.350638D+00  0.264134D+00
      3  -0.980360D+00 -0.337020D+00  0.127412D+01  0.204708D+00 -0.523270D+00
                31            32            33            34            35 
      1  -0.308681D+00  0.886760D+00 -0.365177D+01  0.408683D+00 -0.480023D+00
      2   0.890936D+00  0.349039D+01 -0.347290D+01 -0.202364D+01 -0.392572D+01
      3   0.202222D+01  0.411317D+01 -0.317857D+01 -0.180953D+01 -0.393567D+01
                36            37            38            39            40 
      1   0.607978D+01 -0.323889D+01 -0.296013D+00  0.300552D+01  0.557863D+00
      2   0.621965D+01 -0.232970D+01  0.135310D+01  0.501623D+01  0.577250D+00
      3   0.418281D+01 -0.323897D+01 -0.283922D+01  0.112191D+01  0.354840D+00
                41            42            43            44            45 
      1  -0.426723D+00 -0.175002D+01  0.288109D+01 -0.411826D+00 -0.340785D+01
      2  -0.986948D+00 -0.209926D+01  0.126417D+01 -0.189269D+01 -0.445055D+01
      3   0.916394D+00  0.343037D+00  0.251399D+01  0.745071D+00 -0.459254D+00
                46            47            48            49            50 
      1   0.243578D-01  0.215958D+00  0.632523D+00 -0.445264D+00 -0.962436D+00
      2  -0.904756D-01 -0.104804D+00  0.320665D+00  0.689612D+00  0.906631D+00
      3  -0.268487D-01 -0.982218D+00  0.914096D-01  0.902838D+00 -0.154894D+00
                51            52            53            54            55 
      1   0.364430D+00 -0.378782D-01  0.445719D+01 -0.119479D+01  0.667806D+00
      2  -0.275561D+00 -0.453736D+01 -0.126977D+00  0.292919D+01 -0.523417D+01
      3  -0.281725D+00 -0.689027D+00 -0.372066D+00 -0.334289D+00 -0.887227D+00
                56            57            58            59            60 
      1   0.120021D+01  0.129553D+00  0.224490D+01 -0.173691D+00 -0.557223D+00
      2  -0.182506D+01  0.282511D+01 -0.222571D+01 -0.407582D+01 -0.434954D+01
      3   0.752041D+01  0.224975D+01  0.149696D+02 -0.352063D+01  0.266853D+01
                61            62            63            64            65 
      1  -0.138280D+00  0.263050D+01  0.499149D+00  0.275031D-01  0.212891D+00
      2  -0.454283D+01 -0.400889D+01  0.927637D+01 -0.188125D+01  0.129370D+00
      3   0.158283D+01  0.328446D+01  0.422567D+01 -0.370896D+00 -0.102752D+01
                66            67            68            69            70 
      1  -0.729502D-01  0.106525D+00 -0.375126D+00 -0.901640D+00 -0.236092D+00
      2   0.638494D+00  0.451565D+00 -0.119273D+01  0.257674D+01 -0.176844D+01
      3  -0.346227D+00 -0.981176D-01 -0.613274D+00  0.147409D+01 -0.583543D+00
                71            72            73            74            75 
      1   0.288128D+01  0.893415D+00  0.548271D+00 -0.744259D+00  0.838642D+00
      2   0.251084D+01 -0.140093D+02  0.470131D+00 -0.349056D+00  0.269385D+01
      3   0.242998D+01 -0.235898D+01  0.435738D+01 -0.733942D+01 -0.964919D-02
                76            77            78            79            80 
      1  -0.774233D+00  0.109197D+01 -0.234090D+01  0.319479D+00  0.712244D+00
      2   0.119589D+00  0.914151D+00 -0.302036D+01  0.493096D+00 -0.924564D+00
      3  -0.511026D+01  0.112581D+02 -0.652444D+00 -0.275624D+00 -0.125418D+01
                81            82            83            84            85 
      1   0.961304D-01 -0.646318D+00 -0.222627D+00 -0.102896D+01 -0.528769D+00
      2  -0.616583D+00  0.192989D+01  0.166659D+01  0.337241D+01  0.136640D+01
      3   0.746501D+00 -0.332974D+01 -0.608422D+01 -0.139164D+01 -0.385431D+01
                86            87            88            89            90 
      1  -0.192166D+00 -0.252219D+01 -0.615526D+00  0.552011D+00 -0.100864D+01
      2   0.249045D+01  0.432356D+01  0.610617D+00  0.245825D+01  0.259776D+01
      3  -0.756010D+01 -0.263342D+01 -0.108868D+01 -0.390460D+01 -0.237502D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287343D+00  0.207898D+00  0.102335D+02  0.811802D+01  0.779730D+00
      2   0.108405D+01 -0.713649D-01 -0.547708D+01 -0.747140D+01  0.452338D+01
      3  -0.137139D+01 -0.136534D+00 -0.475645D+01 -0.646617D+00 -0.530311D+01
      4   0.244624D+01 -0.111524D+01 -0.972357D+01 -0.240659D+01 -0.589637D+01
      5   0.175331D+02 -0.763972D+01 -0.258718D+01 -0.445518D+01 -0.194369D+01
      6  -0.790277D+01  0.352187D+01  0.379057D+01  0.421162D+01  0.885396D+01
                 6             7             8             9            10 
      1  -0.105889D+02  0.134684D+02 -0.992597D+01  0.239237D+01 -0.116255D+02
      2   0.676715D+01 -0.692646D+01  0.749798D+01 -0.269184D+01  0.333489D+01
      3   0.382178D+01 -0.654198D+01  0.242799D+01  0.299462D+00  0.829066D+01
      4   0.389175D+00 -0.810162D+01 -0.184597D+01  0.624119D+01  0.434950D+00
      5   0.115251D+02 -0.305236D+01  0.650860D+01  0.114881D+01  0.824332D+00
      6  -0.124518D+02  0.304037D+01 -0.826766D+01  0.509813D+01  0.124074D+01
                11            12            13            14            15 
      1  -0.182762D+01  0.503920D+01 -0.231051D+00 -0.130585D+01  0.114239D+01
      2   0.967426D+00  0.115683D+00 -0.103702D+01  0.189293D+01 -0.179728D+01
      3   0.860191D+00 -0.515488D+01  0.126807D+01 -0.587075D+00  0.654892D+00
      4  -0.676948D+01  0.222130D+01  0.684347D+00 -0.310874D+01 -0.126429D+01
      5   0.131574D+01 -0.875637D+01  0.219600D+01 -0.891717D+00 -0.480913D+00
      6   0.817554D-01  0.967813D+00  0.127744D+01 -0.461084D+00  0.347221D+01
                16            17            18            19            20 
      1   0.864414D+00 -0.254241D+01  0.143278D+02  0.674059D+01  0.629997D+01
      2  -0.102717D+01  0.427243D+00  0.677468D+01 -0.664046D-01 -0.255262D+01
      3   0.162758D+00  0.211517D+01 -0.211025D+02 -0.667419D+01 -0.374736D+01
      4   0.176466D+01 -0.138612D+01  0.204132D+01  0.108246D+02  0.145251D+02
      5   0.155572D+01  0.997273D+00 -0.593173D+01  0.207784D+01  0.309138D+01
      6   0.724639D+00 -0.234667D-01  0.510140D+01  0.335765D+01  0.135696D+01
                21            22            23            24            25 
      1  -0.257753D+01  0.619854D+00 -0.108708D+02 -0.217337D+01  0.944887D+00
      2  -0.249002D+01  0.348324D+01  0.187918D+02 -0.194191D+01 -0.512246D+00
      3   0.506755D+01 -0.410309D+01 -0.792092D+01  0.411528D+01 -0.432641D+00
      4   0.330417D+01  0.140977D+02  0.189194D+02  0.121119D+01  0.240031D+01
      5   0.903227D+01  0.376003D+01  0.790045D+00  0.682622D+00  0.473957D+01
      6   0.375189D+00 -0.174081D+01  0.303338D+01  0.122887D+02  0.267299D+01
                26            27            28            29            30 
      1  -0.188118D+01 -0.734370D+01  0.116098D+01 -0.292726D+01  0.125197D+01
      2  -0.204342D+00 -0.389250D-01 -0.434768D+00  0.165315D+01 -0.226906D+00
      3   0.208552D+01  0.738263D+01 -0.726212D+00  0.127410D+01 -0.102506D+01
      4   0.432252D+01  0.530350D+01 -0.229340D+01  0.366055D+01 -0.124721D+01
      5   0.492365D+01  0.519234D+01 -0.609445D+00 -0.837639D+00  0.379739D+01
      6   0.944065D+01  0.619459D+01 -0.185716D+01 -0.119333D+01  0.115212D+00
                31            32            33            34            35 
      1  -0.191867D+01 -0.864699D+01  0.692095D+01  0.478575D+00  0.849730D+01
      2   0.867790D+00  0.102955D+02 -0.581635D+01 -0.652636D+00 -0.602921D+01
      3   0.105088D+01 -0.164851D+01 -0.110459D+01  0.174061D+00 -0.246809D+01
      4   0.506733D+01 -0.612472D+01  0.490279D+01 -0.316015D+01  0.576361D+01
      5  -0.252065D+01  0.591861D+01 -0.638000D+01  0.515999D+01 -0.719633D+01
      6   0.125057D+01 -0.120617D+02  0.114013D+02 -0.232611D+01  0.131621D+02
                36            37            38            39            40 
      1  -0.103889D+02  0.258484D+02 -0.571068D+01 -0.836668D+01 -0.482066D+01
      2   0.843363D+00 -0.126632D+02  0.686588D+00  0.525353D+01 -0.873775D-01
      3   0.954553D+01 -0.131852D+02  0.502409D+01  0.311315D+01  0.490804D+01
      4  -0.581916D+01 -0.163067D+02  0.109346D+02  0.651589D+01  0.104543D+02
      5   0.113649D+02 -0.149351D+02  0.526808D+01  0.114969D+02  0.330887D+01
      6  -0.156237D+02  0.698253D+01 -0.367468D+01 -0.550994D+01 -0.366819D+01
                41            42            43            44            45 
      1   0.304891D+01  0.984301D+00 -0.113342D+02  0.289020D+01  0.341932D+01
      2   0.826907D+00  0.494193D+00  0.751047D+01 -0.112548D+01 -0.557777D+01
      3  -0.387582D+01 -0.147849D+01  0.382373D+01 -0.176472D+01  0.215844D+01
      4  -0.709968D+01 -0.415333D+01  0.855492D+01 -0.530281D+01 -0.702950D+01
      5  -0.361400D+01 -0.368503D+01  0.137778D+02 -0.627361D+01 -0.120553D+02
      6   0.298621D+01  0.498752D+01 -0.602777D+01  0.589277D+01  0.551561D+01
                46            47            48            49            50 
      1   0.586078D+00 -0.110998D+00  0.241265D+00 -0.329953D+00 -0.431509D+01
      2  -0.340378D+01  0.593558D-03 -0.280282D-01  0.514002D+00  0.421219D+00
      3   0.281770D+01  0.110405D+00 -0.213237D+00 -0.184049D+00  0.389387D+01
      4  -0.346319D+00  0.240173D+01 -0.820881D+00  0.176707D+01 -0.513924D+00
      5   0.782217D+00 -0.957757D+00  0.862495D+01 -0.113143D+01  0.114257D+01
      6  -0.937611D+00 -0.190310D-01  0.519078D-01 -0.206718D-01 -0.280780D+01
                51            52            53            54            55 
      1   0.422702D+01 -0.672797D+00  0.361998D+01 -0.250416D+02  0.322871D+01
      2   0.536547D+00 -0.115236D+01  0.298463D+00 -0.146799D+02 -0.547550D+01
      3  -0.476357D+01  0.182516D+01 -0.391844D+01  0.397215D+02  0.224679D+01
      4   0.769774D+00 -0.371066D+00  0.333163D+00 -0.941865D+00  0.289264D+01
      5  -0.103095D+01  0.575643D+01 -0.752788D+00  0.417182D+01 -0.115473D+02
      6   0.782054D+01 -0.867545D+00  0.668703D+01 -0.628545D+01 -0.305610D+01
                56            57            58            59            60 
      1   0.260304D+01 -0.854152D+01  0.188609D+01 -0.155817D+02 -0.375734D+01
      2   0.170830D+00  0.344111D+01  0.694064D+00  0.259211D+01  0.526420D+00
      3  -0.277387D+01  0.510041D+01 -0.258015D+01  0.129896D+02  0.323092D+01
      4  -0.188801D+02 -0.491930D+01 -0.266206D+02  0.579855D+01 -0.747883D+01
      5  -0.471543D+01  0.182952D+01 -0.660183D+01 -0.711357D+01 -0.781884D+01
      6  -0.120036D+01 -0.683304D+00 -0.182974D+01 -0.350865D+01 -0.212129D+01
                61            62            63            64            65 
      1  -0.101703D+02 -0.462672D+01  0.695577D+01  0.338345D+00  0.285266D+00
      2   0.271055D+01 -0.435228D+00  0.184106D+01 -0.169494D+01 -0.405764D+00
      3   0.745975D+01  0.506194D+01 -0.879682D+01  0.135660D+01  0.120498D+00
      4  -0.656359D+01 -0.821100D+01 -0.776680D+01  0.271193D-01  0.289233D+01
      5  -0.103154D+01 -0.745963D+01  0.135461D+02 -0.104646D+01 -0.371071D+00
      6  -0.175453D+01 -0.140743D+01  0.193812D+01 -0.736537D+00  0.590549D+00
                66            67            68            69            70 
      1  -0.288092D+01  0.867960D+00 -0.751196D+00  0.225766D+01 -0.443530D+01
      2   0.133887D+01 -0.801131D+00  0.733261D+00 -0.174545D+00  0.413738D+01
      3   0.154205D+01 -0.668292D-01  0.179350D-01 -0.208311D+01  0.297921D+00
      4  -0.586431D+00  0.460893D+01  0.120502D+01 -0.236896D+01 -0.117339D+01
      5   0.471909D+01 -0.698582D+00 -0.210991D+01  0.428415D+01  0.717239D+01
      6   0.457521D+00 -0.385085D+00 -0.197050D+01  0.585698D+01  0.924032D+00
                71            72            73            74            75 
      1   0.248554D+01 -0.120601D+02  0.195861D+02 -0.103355D+02  0.132482D+01
      2  -0.211670D+00 -0.936322D+01 -0.647058D+01  0.292660D+01 -0.449628D+00
      3  -0.227387D+01  0.214233D+02 -0.131155D+02  0.740886D+01 -0.875192D+00
      4  -0.421590D+01  0.439733D+01 -0.142676D+02  0.167315D+02 -0.256923D+00
      5   0.385044D+01 -0.235700D+02  0.979433D+00 -0.133258D-01  0.460083D+01
      6   0.535021D+01 -0.537992D+01  0.388777D+00 -0.365510D+00 -0.879640D+00
                76            77            78            79            80 
      1  -0.136497D+02  0.653695D+01 -0.322419D+00  0.264703D+01  0.529334D+00
      2   0.226847D+01  0.650535D+01 -0.155643D+00 -0.843953D+00 -0.392117D+00
      3   0.113813D+02 -0.130423D+02  0.478062D+00 -0.180308D+01 -0.137217D+00
      4   0.214299D+02 -0.248771D+02  0.183733D+01 -0.389377D+00  0.244741D+01
      5   0.545651D+00  0.154031D+01 -0.495833D+01  0.575310D+01 -0.370394D+01
      6  -0.713009D+00  0.119759D+01  0.375558D+01 -0.199794D+01  0.408588D+01
                81            82            83            84            85 
      1   0.574464D+00  0.184414D+02  0.817492D+01  0.530185D+01  0.111286D+02
      2  -0.933738D+00 -0.650588D+01 -0.170499D+01 -0.199053D+01 -0.177155D+01
      3   0.359274D+00 -0.119355D+02 -0.646994D+01 -0.331132D+01 -0.935704D+01
      4  -0.307031D+01  0.140827D+02  0.151897D+02  0.493435D+01  0.193618D+02
      5  -0.260210D+00  0.671080D+01  0.428113D+01  0.670453D+01  0.559712D+01
      6  -0.125464D+01  0.252047D+01  0.901765D+00  0.131467D+01  0.238736D+01
                86            87            88            89            90 
      1   0.472557D+01  0.169550D+01  0.769626D+01  0.133968D+01  0.856622D+00
      2   0.617852D+01  0.789923D+00 -0.375656D+01  0.560105D+00 -0.248165D+01
      3  -0.109041D+02 -0.248542D+01 -0.393970D+01 -0.189978D+01  0.162503D+01
      4   0.191919D+02  0.692464D+01  0.703930D+01  0.809510D+01  0.664430D+01
      5   0.628136D+01  0.786221D+01  0.861312D+01  0.660064D+01  0.716279D+01
      6   0.415996D+01  0.445220D+01  0.310619D+01  0.465063D+01  0.411724D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.337217D+00      0.857120D+00      0.285904D+01
   y          0.651403D+00      0.165570D+01      0.552283D+01
   z          0.266668D+00      0.677803D+00      0.226091D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.448764D+02      0.664999D+01      0.739912D+01
   yx        -0.293313D+01     -0.434645D+00     -0.483607D+00
   yy         0.357864D+02      0.530300D+01      0.590038D+01
   zx         0.962235D+00      0.142589D+00      0.158651D+00
   zy        -0.123787D+01     -0.183434D+00     -0.204098D+00
   zz         0.361063D+02      0.535040D+01      0.595312D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.424923D+02      0.629671D+01      0.700603D+01
   aniso      0.100664D+02      0.149169D+01      0.165973D+01
   xx         0.484442D+02      0.717869D+01      0.798737D+01
   yx        -0.250569D+01     -0.371305D+00     -0.413133D+00
   yy         0.395707D+02      0.586377D+01      0.652433D+01
   zx         0.769489D+00      0.114026D+00      0.126872D+00
   zy        -0.578618D+00     -0.857424D-01     -0.954013D-01
   zz         0.394619D+02      0.584765D+01      0.650639D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.95195356          1.18247855          0.08505260
     6         -0.13116355         -0.87721094          0.38118758
     8         -0.74953804          0.08328687         -2.07320661
     1         -1.37075432          3.10238706          0.52204999
     1         -3.96335442          0.81158928          0.25066262
     1         -0.88989594         -2.75655362          0.73067889
     6          2.52045704         -0.44129423          1.28748780
     1          3.12084466          1.48662089          0.87574127
     1          3.82761779         -1.74058113          0.35971124
     1          2.64779815         -0.75360554          3.32444940

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.780483D+00      0.198379D+01      0.661721D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.429366D+02      0.636254D+01      0.707928D+01
   yx        -0.401395D+01     -0.594805D+00     -0.661810D+00
   yy         0.388492D+02      0.575685D+01      0.640536D+01
   zx         0.223041D+01      0.330513D+00      0.367746D+00
   zy        -0.874592D+00     -0.129601D+00     -0.144201D+00
   zz         0.349833D+02      0.518399D+01      0.576797D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.424923D+02      0.629671D+01      0.700603D+01
   aniso      0.100664D+02      0.149169D+01      0.165973D+01
   xx         0.465791D+02      0.690232D+01      0.767986D+01
   yx        -0.378361D+01     -0.560673D+00     -0.623832D+00
   yy         0.415932D+02      0.616347D+01      0.685779D+01
   zx         0.215167D+01      0.318845D+00      0.354763D+00
   zy        -0.998024D+00     -0.147892D+00     -0.164552D+00
   zz         0.393045D+02      0.582433D+01      0.648044D+01

 ----------------------------------------------------------------------
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 "WHERE SHALL I START, PLEASE YOUR MAJESTY?" HE ASKED.
 "BEGIN AT THE BEGINNING," THE KING SAID GRAVELY,
 "AND GO ON TILL YOU COME TO THE END: THEN STOP." 

                                      -- LEWIS CARROLL
 Job cpu time:       0 days  0 hours  9 minutes 36.2 seconds.
 Elapsed time:       0 days  0 hours  1 minutes 13.4 seconds.
 File lengths (MBytes):  RWF=    102 Int=      0 D2E=      0 Chk=      4 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 10 01:30:44 2021.
